CID 88219

18-phenyloctadecanoic acid

Structural Information

Molecular Formula
C24H40O2
SMILES
C1=CC=C(C=C1)CCCCCCCCCCCCCCCCCC(=O)O
InChI
InChI=1S/C24H40O2/c25-24(26)22-18-13-11-9-7-5-3-1-2-4-6-8-10-12-15-19-23-20-16-14-17-21-23/h14,16-17,20-21H,1-13,15,18-19,22H2,(H,25,26)
InChIKey
FVNFTAQJARARPD-UHFFFAOYSA-N
Compound name
18-phenyloctadecanoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

499
Patents

360.30283 Da
Monoisotopic Mass

9.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 361.31011 198.0
[M+Na]+ 383.29205 207.0
[M+NH4]+ 378.33665 203.7
[M+K]+ 399.26599 197.4
[M-H]- 359.29555 198.8
[M+Na-2H]- 381.27750 200.7
[M]+ 360.30228 199.3
[M]- 360.30338 199.3
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