CID 67712

Dichlorofluoroacetic acid

Structural Information

Molecular Formula

C₂HCl₂FO₂

SMILES

C(=O)(C(F)(Cl)Cl)O

InChI

InChI=1S/C2HCl2FO2/c3-2(4,5)1(6)7/h(H,6,7)

InChIKey

UDANIBGCYQAQDP-UHFFFAOYSA-N

Compound name

2,2-dichloro-2-fluoroacetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 330
Patents: 145.93376 Da
Monoisotopic Mass: 1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	146.94104	116.9
[M+Na]+	168.92298	126.9
[M-H]-	144.92648	114.8
[M+NH4]+	163.96758	138.8
[M+K]+	184.89692	123.6
[M+H-H2O]+	128.93102	114.9
[M+HCOO]-	190.93196	128.2
[M+CH3COO]-	204.94761	168.2
[M+Na-2H]-	166.90843	123.5
[M]+	145.93321	117.3
[M]-	145.93431	117.3

Literature stripe

literature stripe

Patent stripe

patents stripe