CID 123464

2-chloro-6-fluorophenylacetic acid

Structural Information

Molecular Formula
C8H6ClFO2
SMILES
C1=CC(=C(C(=C1)Cl)CC(=O)O)F
InChI
InChI=1S/C8H6ClFO2/c9-6-2-1-3-7(10)5(6)4-8(11)12/h1-3H,4H2,(H,11,12)
InChIKey
GUAIAAXDEJZRBP-UHFFFAOYSA-N
Compound name
2-(2-chloro-6-fluorophenyl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

443
Patents

188.00403 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.01131 131.5
[M+Na]+ 210.99325 141.6
[M-H]- 186.99675 133.1
[M+NH4]+ 206.03785 151.7
[M+K]+ 226.96719 137.5
[M+H-H2O]+ 171.00129 126.7
[M+HCOO]- 233.00223 149.0
[M+CH3COO]- 247.01788 178.5
[M+Na-2H]- 208.97870 136.3
[M]+ 188.00348 132.4
[M]- 188.00458 132.4
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