CID 378368

Nsc660665

Structural Information

Molecular Formula
C36H36Br2O2
SMILES
C1=CC=C2C(=C1)C(=C3C=CC=CC3=C2C4=CC=C(C=C4)OCCCCCBr)C5=CC=C(C=C5)OCCCCCBr
InChI
InChI=1S/C36H36Br2O2/c37-23-7-1-9-25-39-29-19-15-27(16-20-29)35-31-11-3-5-13-33(31)36(34-14-6-4-12-32(34)35)28-17-21-30(22-18-28)40-26-10-2-8-24-38/h3-6,11-22H,1-2,7-10,23-26H2
InChIKey
IQKXIXAHZYRQIC-UHFFFAOYSA-N
Compound name
9,10-bis[4-(5-bromopentoxy)phenyl]anthracene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

658.1082 Da
Monoisotopic Mass

11.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 659.11548 240.3
[M+Na]+ 681.09742 245.3
[M-H]- 657.10092 250.2
[M+NH4]+ 676.14202 248.0
[M+K]+ 697.07136 230.1
[M+H-H2O]+ 641.10546 243.8
[M+HCOO]- 703.10640 250.9
[M+CH3COO]- 717.12205 246.7
[M+Na-2H]- 679.08287 240.5
[M]+ 658.10765 277.1
[M]- 658.10875 277.1
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.