CID 22679883

4-(4-chloro-3-methylphenoxy)benzoic acid

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

19
Patents

262.03967 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.04695 154.8
[M+Na]+ 285.02889 170.5
[M+NH4]+ 280.07349 163.4
[M+K]+ 301.00283 163.1
[M-H]- 261.03239 158.7
[M+Na-2H]- 283.01434 163.7
[M]+ 262.03912 158.6
[M]- 262.04022 158.6
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