CID 129318102

Benzene, 1-(decyloxy)-2-(1-methylpropyl)-4-(triphenylmethyl)-

Structural Information

Molecular Formula
C39H48O
SMILES
CCCCCCCCCCOC1=C(C=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)C(C)CC
InChI
InChI=1S/C39H48O/c1-4-6-7-8-9-10-11-21-30-40-38-29-28-36(31-37(38)32(3)5-2)39(33-22-15-12-16-23-33,34-24-17-13-18-25-34)35-26-19-14-20-27-35/h12-20,22-29,31-32H,4-11,21,30H2,1-3H3
InChIKey
GAXIFKVOUILVHY-UHFFFAOYSA-N
Compound name
2-butan-2-yl-1-decoxy-4-tritylbenzene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

2
Patents

532.37054 Da
Monoisotopic Mass

13.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 533.37782 244.2
[M+Na]+ 555.35976 243.6
[M-H]- 531.36326 253.1
[M+NH4]+ 550.40436 247.9
[M+K]+ 571.33370 234.9
[M+H-H2O]+ 515.36780 230.4
[M+HCOO]- 577.36874 259.2
[M+CH3COO]- 591.38439 252.2
[M+Na-2H]- 553.34521 241.1
[M]+ 532.36999 246.3
[M]- 532.37109 246.3
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

patents stripe