CID 12602114

2-(3-chlorophenyl)-2-fluoroacetic acid

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

39
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 131.9
[M+Na]+ 210.99325 140.9
[M-H]- 186.99675 133.3
[M+NH4]+ 206.03785 151.8
[M+K]+ 226.96719 137.3
[M+H-H2O]+ 171.00129 127.0
[M+HCOO]- 233.00223 148.5
[M+CH3COO]- 247.01788 178.2
[M+Na-2H]- 208.97870 136.2
[M]+ 188.00348 131.9
[M]- 188.00458 131.9
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