CID 23316430

1193388-88-3

Structural Information

Molecular Formula
C15H12O5
SMILES
C1=CC=C(C(=C1)COC2=CC=CC=C2C(=O)O)C(=O)O
InChI
InChI=1S/C15H12O5/c16-14(17)11-6-2-1-5-10(11)9-20-13-8-4-3-7-12(13)15(18)19/h1-8H,9H2,(H,16,17)(H,18,19)
InChIKey
RFGGWHILETVKCC-UHFFFAOYSA-N
Compound name
2-[(2-carboxyphenoxy)methyl]benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

272.06848 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.07576 158.2
[M+Na]+ 295.05770 164.8
[M-H]- 271.06120 162.5
[M+NH4]+ 290.10230 172.5
[M+K]+ 311.03164 161.9
[M+H-H2O]+ 255.06574 150.9
[M+HCOO]- 317.06668 178.6
[M+CH3COO]- 331.08233 193.0
[M+Na-2H]- 293.04315 161.1
[M]+ 272.06793 159.2
[M]- 272.06903 159.2
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