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 143.9
[M+Na]+ 269.92322 155.6
[M-H]- 245.92672 144.8
[M+NH4]+ 264.96782 163.4
[M+K]+ 285.89716 150.8
[M+H-H2O]+ 229.93126 138.3
[M+HCOO]- 291.93220 149.5
[M+CH3COO]- 305.94785 184.2
[M+Na-2H]- 267.90867 145.3
[M]+ 246.93345 146.8
[M]- 246.93455 146.8
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.