CID 2782491

661-82-5

Structural Information

Molecular Formula

C₃HClF₄O₂

SMILES

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

InChI

InChI=1S/C3HClF4O2/c4-3(7,8)2(5,6)1(9)10/h(H,9,10)

InChIKey

XJRMCFMZGRJXEZ-UHFFFAOYSA-N

Compound name

3-chloro-2,2,3,3-tetrafluoropropanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 28
Patents: 179.96011 Da
Monoisotopic Mass: 1.8
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]+	180.96739	122.3
[M+Na]+	202.94933	132.1
[M-H]-	178.95283	116.8
[M+NH4]+	197.99393	142.3
[M+K]+	218.92327	129.4
[M+H-H2O]+	162.95737	116.9
[M+HCOO]-	224.95831	133.5
[M+CH3COO]-	238.97396	175.1
[M+Na-2H]-	200.93478	128.3
[M]+	179.95956	117.9
[M]-	179.96066	117.9

Literature stripe

literature stripe

Patent stripe

patents stripe