CID 5097985

4-(benzyloxy)-2-chlorobenzoic acid

Structural Information

Molecular Formula
C14H11ClO3
SMILES
C1=CC=C(C=C1)COC2=CC(=C(C=C2)C(=O)O)Cl
InChI
InChI=1S/C14H11ClO3/c15-13-8-11(6-7-12(13)14(16)17)18-9-10-4-2-1-3-5-10/h1-8H,9H2,(H,16,17)
InChIKey
NLSYAGPPJSQRGM-UHFFFAOYSA-N
Compound name
2-chloro-4-phenylmethoxybenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

59
Patents

262.03967 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.04695 155.2
[M+Na]+ 285.02889 170.5
[M+NH4]+ 280.07349 163.7
[M+K]+ 301.00283 162.8
[M-H]- 261.03239 159.0
[M+Na-2H]- 283.01434 164.2
[M]+ 262.03912 158.8
[M]- 262.04022 158.8
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