CID 419554

2-[2-(methoxycarbonyl)phenyl]benzoic acid

Structural Information

Molecular Formula
C15H12O4
SMILES
COC(=O)C1=CC=CC=C1C2=CC=CC=C2C(=O)O
InChI
InChI=1S/C15H12O4/c1-19-15(18)13-9-5-3-7-11(13)10-6-2-4-8-12(10)14(16)17/h2-9H,1H3,(H,16,17)
InChIKey
ZDVLTXGRPRUSHK-UHFFFAOYSA-N
Compound name
2-(2-methoxycarbonylphenyl)benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

48
Patents

256.07355 Da
Monoisotopic Mass

2.4
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

literature stripe

Patent stripe

patents stripe