CID 112984

2-chloro-2,2-difluoroethane-1,1-diol

Structural Information

Molecular Formula

C₂H₃ClF₂O₂

SMILES

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

InChI

InChI=1S/C2H3ClF2O2/c3-2(4,5)1(6)7/h1,6-7H

InChIKey

NBVGJCUYDBSJDL-UHFFFAOYSA-N

Compound name

2-chloro-2,2-difluoroethane-1,1-diol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 20
Patents: 131.97896 Da
Monoisotopic Mass: 0.4
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]+	132.98624	116.0
[M+Na]+	154.96818	125.1
[M-H]-	130.97168	111.6
[M+NH4]+	150.01278	137.5
[M+K]+	170.94212	122.7
[M+H-H2O]+	114.97622	112.4
[M+HCOO]-	176.97716	129.5
[M+CH3COO]-	190.99281	164.3
[M+Na-2H]-	152.95363	122.2
[M]+	131.97841	113.1
[M]-	131.97951	113.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe