CID 458239

P,p'-propylidenedibenzoic acid

Structural Information

Molecular Formula
C17H16O4
SMILES
CCC(C1=CC=C(C=C1)C(=O)O)C2=CC=C(C=C2)C(=O)O
InChI
InChI=1S/C17H16O4/c1-2-15(11-3-7-13(8-4-11)16(18)19)12-5-9-14(10-6-12)17(20)21/h3-10,15H,2H2,1H3,(H,18,19)(H,20,21)
InChIKey
YDLHFVBTPDFMOE-UHFFFAOYSA-N
Compound name
4-[1-(4-carboxyphenyl)propyl]benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

266
Patents

284.10486 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.112136 164.3
[M+Na]+ 307.094078 169.9
[M-H]- 283.097584 168.3
[M+NH4]+ 302.138683 178.1
[M+K]+ 323.068018 166.5
[M+H-H2O]+ 267.102120 157.1
[M+HCOO]- 329.103061 182.8
[M+CH3COO]- 343.118711 197.7
[M+Na-2H]- 305.079526 164.8
[M]+ 284.10431142 163.9
[M]- 284.10540858 163.9
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

patents stripe