CID 11451085

4'-decyloxybiphenyl-4-carboxylic acid

Structural Information

Molecular Formula
C23H30O3
SMILES
CCCCCCCCCCOC1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)O
InChI
InChI=1S/C23H30O3/c1-2-3-4-5-6-7-8-9-18-26-22-16-14-20(15-17-22)19-10-12-21(13-11-19)23(24)25/h10-17H,2-9,18H2,1H3,(H,24,25)
InChIKey
HQVTYOXUVQQMLD-UHFFFAOYSA-N
Compound name
4-(4-decoxyphenyl)benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

263
Patents

354.21948 Da
Monoisotopic Mass

7.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.22676 190.1
[M+Na]+ 377.20870 193.8
[M-H]- 353.21220 194.0
[M+NH4]+ 372.25330 202.0
[M+K]+ 393.18264 188.6
[M+H-H2O]+ 337.21674 181.1
[M+HCOO]- 399.21768 209.6
[M+CH3COO]- 413.23333 214.7
[M+Na-2H]- 375.19415 190.0
[M]+ 354.21893 194.0
[M]- 354.22003 194.0
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