CID 67941

431-93-6

Structural Information

Molecular Formula

C₃H₂Cl₂F₄O

SMILES

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

InChI

InChI=1S/C3H2Cl2F4O/c4-2(6,7)1(10)3(5,8)9/h1,10H

InChIKey

GDTWWGUPWWRRRL-UHFFFAOYSA-N

Compound name

1,3-dichloro-1,1,3,3-tetrafluoropropan-2-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 16
Patents: 199.94188 Da
Monoisotopic Mass: 2.3
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]+	200.94916	124.7
[M+Na]+	222.93110	134.6
[M-H]-	198.93460	118.8
[M+NH4]+	217.97570	144.4
[M+K]+	238.90504	130.4
[M+H-H2O]+	182.93914	120.2
[M+HCOO]-	244.94008	130.7
[M+CH3COO]-	258.95573	179.0
[M+Na-2H]-	220.91655	130.0
[M]+	199.94133	120.7
[M]-	199.94243	120.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe