CID 55107381

2-(3-chlorophenoxy)-4-methylbenzoic acid

Structural Information

Molecular Formula
C14H11ClO3
SMILES
CC1=CC(=C(C=C1)C(=O)O)OC2=CC(=CC=C2)Cl
InChI
InChI=1S/C14H11ClO3/c1-9-5-6-12(14(16)17)13(7-9)18-11-4-2-3-10(15)8-11/h2-8H,1H3,(H,16,17)
InChIKey
LXZWMSHYUDLRFE-UHFFFAOYSA-N
Compound name
2-(3-chlorophenoxy)-4-methylbenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

262.03967 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.04695 153.6
[M+Na]+ 285.02889 163.3
[M-H]- 261.03239 159.7
[M+NH4]+ 280.07349 170.8
[M+K]+ 301.00283 158.5
[M+H-H2O]+ 245.03693 147.7
[M+HCOO]- 307.03787 171.9
[M+CH3COO]- 321.05352 192.9
[M+Na-2H]- 283.01434 157.6
[M]+ 262.03912 157.3
[M]- 262.04022 157.3
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

No patent data available for this compound.