CID 3085701

10-phenylstearyl formate

Structural Information

Molecular Formula
C25H42O2
SMILES
CCCCCCCCC(CCCCCCCCCOC=O)C1=CC=CC=C1
InChI
InChI=1S/C25H42O2/c1-2-3-4-5-9-13-18-24(25-20-15-12-16-21-25)19-14-10-7-6-8-11-17-22-27-23-26/h12,15-16,20-21,23-24H,2-11,13-14,17-19,22H2,1H3
InChIKey
ZDVMQCDLRQLKHT-UHFFFAOYSA-N
Compound name
10-phenyloctadecyl formate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

374.31848 Da
Monoisotopic Mass

10.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 375.32576 203.1
[M+Na]+ 397.30770 203.5
[M-H]- 373.31120 203.4
[M+NH4]+ 392.35230 214.8
[M+K]+ 413.28164 198.4
[M+H-H2O]+ 357.31574 194.0
[M+HCOO]- 419.31668 221.8
[M+CH3COO]- 433.33233 223.1
[M+Na-2H]- 395.29315 201.2
[M]+ 374.31793 210.3
[M]- 374.31903 210.3
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

No patent data available for this compound.