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

273
Patents

284.10486 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.11214 164.3
[M+Na]+ 307.09408 169.9
[M-H]- 283.09758 168.3
[M+NH4]+ 302.13868 178.1
[M+K]+ 323.06802 166.5
[M+H-H2O]+ 267.10212 157.1
[M+HCOO]- 329.10306 182.8
[M+CH3COO]- 343.11871 197.7
[M+Na-2H]- 305.07953 164.8
[M]+ 284.10431 163.9
[M]- 284.10541 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