CID 84623

Heptadecylbenzene

Structural Information

Molecular Formula
C23H40
SMILES
CCCCCCCCCCCCCCCCCC1=CC=CC=C1
InChI
InChI=1S/C23H40/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-17-20-23-21-18-16-19-22-23/h16,18-19,21-22H,2-15,17,20H2,1H3
InChIKey
ZMPPFNHWXMJARX-UHFFFAOYSA-N
Compound name
heptadecylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

749
Patents

316.313 Da
Monoisotopic Mass

11.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.32028 187.9
[M+Na]+ 339.30222 189.3
[M-H]- 315.30572 188.6
[M+NH4]+ 334.34682 202.4
[M+K]+ 355.27616 183.8
[M+H-H2O]+ 299.31026 179.5
[M+HCOO]- 361.31120 207.7
[M+CH3COO]- 375.32685 213.7
[M+Na-2H]- 337.28767 188.4
[M]+ 316.31245 192.9
[M]- 316.31355 192.9
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