CID 83402914

2-(4-chloro-2-fluoro-3-methylphenyl)-2-methylpropanoic acid

Structural Information

Molecular Formula
C11H12ClFO2
SMILES
CC1=C(C=CC(=C1F)C(C)(C)C(=O)O)Cl
InChI
InChI=1S/C11H12ClFO2/c1-6-8(12)5-4-7(9(6)13)11(2,3)10(14)15/h4-5H,1-3H3,(H,14,15)
InChIKey
RYCYOBQXAWWOBB-UHFFFAOYSA-N
Compound name
2-(4-chloro-2-fluoro-3-methylphenyl)-2-methylpropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

230.05098 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.05826 144.3
[M+Na]+ 253.04020 154.5
[M-H]- 229.04370 146.2
[M+NH4]+ 248.08480 163.4
[M+K]+ 269.01414 150.3
[M+H-H2O]+ 213.04824 139.8
[M+HCOO]- 275.04918 159.3
[M+CH3COO]- 289.06483 189.1
[M+Na-2H]- 251.02565 147.6
[M]+ 230.05043 146.3
[M]- 230.05153 146.3
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.