CID 205111

2-(2-chlorophenoxy)-2-methylpropanoic acid

Structural Information

Molecular Formula
C10H11ClO3
SMILES
CC(C)(C(=O)O)OC1=CC=CC=C1Cl
InChI
InChI=1S/C10H11ClO3/c1-10(2,9(12)13)14-8-6-4-3-5-7(8)11/h3-6H,1-2H3,(H,12,13)
InChIKey
ZEQSWIRBIUYYFA-UHFFFAOYSA-N
Compound name
2-(2-chlorophenoxy)-2-methylpropanoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

3
References

140
Patents

214.03967 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.04695 142.0
[M+Na]+ 237.02889 150.7
[M-H]- 213.03239 144.7
[M+NH4]+ 232.07349 161.0
[M+K]+ 253.00283 147.5
[M+H-H2O]+ 197.03693 137.9
[M+HCOO]- 259.03787 158.6
[M+CH3COO]- 273.05352 183.0
[M+Na-2H]- 235.01434 147.7
[M]+ 214.03912 145.4
[M]- 214.04022 145.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe