CID 92133670

2-chloro-4-fluoro-6-methylbenzoic acid

Structural Information

Molecular Formula
C8H6ClFO2
SMILES
CC1=CC(=CC(=C1C(=O)O)Cl)F
InChI
InChI=1S/C8H6ClFO2/c1-4-2-5(10)3-6(9)7(4)8(11)12/h2-3H,1H3,(H,11,12)
InChIKey
YWBKKVASGGLEDV-UHFFFAOYSA-N
Compound name
2-chloro-4-fluoro-6-methylbenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

29
Patents

188.00403 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.01131 133.0
[M+Na]+ 210.99325 146.3
[M+NH4]+ 206.03785 140.9
[M+K]+ 226.96719 140.4
[M-H]- 186.99675 133.1
[M+Na-2H]- 208.97870 138.8
[M]+ 188.00348 135.1
[M]- 188.00458 135.1
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