CID 155973595

2-(1,1-difluoroethyl)-1,3-thiazole-5-sulfonylchloride

Structural Information

Molecular Formula
C5H4ClF2NO2S2
SMILES
CC(C1=NC=C(S1)S(=O)(=O)Cl)(F)F
InChI
InChI=1S/C5H4ClF2NO2S2/c1-5(7,8)4-9-2-3(12-4)13(6,10)11/h2H,1H3
InChIKey
ZRRLDQZANCLPJV-UHFFFAOYSA-N
Compound name
2-(1,1-difluoroethyl)-1,3-thiazole-5-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

246.934 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.94128 152.2
[M+Na]+ 269.92322 160.3
[M+NH4]+ 264.96782 158.3
[M+K]+ 285.89716 154.4
[M-H]- 245.92672 148.5
[M+Na-2H]- 267.90867 153.8
[M]+ 246.93345 153.2
[M]- 246.93455 153.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.