CID 132342280

2-chloro-4-methyl-1,3-thiazole-5-sulfonyl fluoride

Structural Information

Molecular Formula
C4H3ClFNO2S2
SMILES
CC1=C(SC(=N1)Cl)S(=O)(=O)F
InChI
InChI=1S/C4H3ClFNO2S2/c1-2-3(11(6,8)9)10-4(5)7-2/h1H3
InChIKey
VYWKXKSFFKCFIF-UHFFFAOYSA-N
Compound name
2-chloro-4-methyl-1,3-thiazole-5-sulfonyl fluoride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

214.92778 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.93506 136.0
[M+Na]+ 237.91700 148.8
[M-H]- 213.92050 138.6
[M+NH4]+ 232.96160 157.2
[M+K]+ 253.89094 144.1
[M+H-H2O]+ 197.92504 131.5
[M+HCOO]- 259.92598 144.3
[M+CH3COO]- 273.94163 179.3
[M+Na-2H]- 235.90245 136.8
[M]+ 214.92723 140.6
[M]- 214.92833 140.6
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.