CID 101048518

483363-27-5

Structural Information

Molecular Formula
C125H162
SMILES
CCCCCCC1(C2=CC=CC=C2C3=C1C=C(C=C3)C4=CC5=C(C=C4)C6=C(C5(CCCCCC)CCCCCC)C=C(C=C6)C7=CC8=C(C=C7)C9=C(C8(CCCCCC)CCCCCC)C=C(C=C9)C1=CC2=C(C=C1)C1=C(C2(CCCCCC)CCCCCC)C=C(C=C1)C1=CC2=C(C=C1)C1=CC=CC=C1C2(CCCCCC)CCCCCC)CCCCCC
InChI
InChI=1S/C125H162/c1-11-21-31-45-75-121(76-46-32-22-12-2)111-57-43-41-55-101(111)103-67-59-93(85-113(103)121)95-61-69-105-107-71-63-97(89-117(107)123(115(105)87-95,79-49-35-25-15-5)80-50-36-26-16-6)99-65-73-109-110-74-66-100(92-120(110)125(119(109)91-99,83-53-39-29-19-9)84-54-40-30-20-10)98-64-72-108-106-70-62-96(88-116(106)124(118(108)90-98,81-51-37-27-17-7)82-52-38-28-18-8)94-60-68-104-102-56-42-44-58-112(102)122(114(104)86-94,77-47-33-23-13-3)78-48-34-24-14-4/h41-44,55-74,85-92H,11-40,45-54,75-84H2,1-10H3
InChIKey
TVXCBXXCRCVJIC-UHFFFAOYSA-N
Compound name
2,7-bis[7-(9,9-dihexylfluoren-2-yl)-9,9-dihexylfluoren-2-yl]-9,9-dihexylfluorene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

1663.2677 Da
Monoisotopic Mass

48.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 1664.2750 391.4
[M+Na]+ 1686.2569 409.6
[M-H]- 1662.2604 402.8
[M+NH4]+ 1681.3015 400.4
[M+K]+ 1702.2309 398.6
[M+H-H2O]+ 1646.2650 346.6
[M+HCOO]- 1708.2659 398.6
[M+CH3COO]- 1722.2816 397.8
[M+Na-2H]- 1684.2424 400.5
[M]+ 1663.2672 430.1
[M]- 1663.2682 430.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.