CID 14250826

4-[4-(methoxycarbonyl)phenyl]benzoic acid

Structural Information

Molecular Formula
C15H12O4
SMILES
COC(=O)C1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)O
InChI
InChI=1S/C15H12O4/c1-19-15(18)13-8-4-11(5-9-13)10-2-6-12(7-3-10)14(16)17/h2-9H,1H3,(H,16,17)
InChIKey
LIKHRLCRYVOFEK-UHFFFAOYSA-N
Compound name
4-(4-methoxycarbonylphenyl)benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

82
Patents

256.07355 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.08083 155.0
[M+Na]+ 279.06277 162.4
[M-H]- 255.06627 160.8
[M+NH4]+ 274.10737 170.9
[M+K]+ 295.03671 159.7
[M+H-H2O]+ 239.07081 147.8
[M+HCOO]- 301.07175 176.8
[M+CH3COO]- 315.08740 192.5
[M+Na-2H]- 277.04822 158.3
[M]+ 256.07300 156.4
[M]- 256.07410 156.4
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