CID 78187

Octadecylbenzene

Structural Information

Molecular Formula
C24H42
SMILES
CCCCCCCCCCCCCCCCCCC1=CC=CC=C1
InChI
InChI=1S/C24H42/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18-21-24-22-19-17-20-23-24/h17,19-20,22-23H,2-16,18,21H2,1H3
InChIKey
WSVDSBZMYJJMSB-UHFFFAOYSA-N
Compound name
octadecylbenzene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

2597
Patents

330.32864 Da
Monoisotopic Mass

12.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.33592 192.4
[M+Na]+ 353.31786 193.3
[M-H]- 329.32136 192.9
[M+NH4]+ 348.36246 206.3
[M+K]+ 369.29180 187.6
[M+H-H2O]+ 313.32590 183.8
[M+HCOO]- 375.32684 211.8
[M+CH3COO]- 389.34249 216.7
[M+Na-2H]- 351.30331 192.3
[M]+ 330.32809 197.7
[M]- 330.32919 197.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe