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

49
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 154.2
[M+Na]+ 285.02889 162.9
[M-H]- 261.03239 159.9
[M+NH4]+ 280.07349 171.0
[M+K]+ 301.00283 158.0
[M+H-H2O]+ 245.03693 148.0
[M+HCOO]- 307.03787 172.4
[M+CH3COO]- 321.05352 191.6
[M+Na-2H]- 283.01434 158.8
[M]+ 262.03912 157.4
[M]- 262.04022 157.4
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