CID 3864148

2-chloro-2,2-difluoroethan-1-ol

Structural Information

Molecular Formula

C₂H₃ClF₂O

SMILES

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

InChI

InChI=1S/C2H3ClF2O/c3-2(4,5)1-6/h6H,1H2

InChIKey

KWSLNKPYNZTHLJ-UHFFFAOYSA-N

Compound name

2-chloro-2,2-difluoroethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4292
Patents: 115.98405 Da
Monoisotopic Mass: 0.9
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]+	116.99133	113.0
[M+Na]+	138.97327	122.7
[M-H]-	114.97677	109.9
[M+NH4]+	134.01787	135.9
[M+K]+	154.94721	120.5
[M+H-H2O]+	98.981310	109.2
[M+HCOO]-	160.98225	128.7
[M+CH3COO]-	174.99790	164.1
[M+Na-2H]-	136.95872	120.9
[M]+	115.98350	111.1
[M]-	115.98460	111.1

Literature stripe

literature stripe

Patent stripe

patents stripe