CID 522891

88038-94-2

Structural Information

Molecular Formula
C16H16O2
SMILES
CCCC1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)O
InChI
InChI=1S/C16H16O2/c1-2-3-12-4-6-13(7-5-12)14-8-10-15(11-9-14)16(17)18/h4-11H,2-3H2,1H3,(H,17,18)
InChIKey
HCPBURTZSXRGBN-UHFFFAOYSA-N
Compound name
4-(4-propylphenyl)benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

228
Patents

240.11504 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.12232 154.5
[M+Na]+ 263.10426 161.6
[M-H]- 239.10776 159.9
[M+NH4]+ 258.14886 171.3
[M+K]+ 279.07820 157.4
[M+H-H2O]+ 223.11230 147.4
[M+HCOO]- 285.11324 176.3
[M+CH3COO]- 299.12889 191.8
[M+Na-2H]- 261.08971 158.4
[M]+ 240.11449 154.7
[M]- 240.11559 154.7
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