CID 22027808

2-methyl-1,3-thiazole-4-sulfonyl chloride

Structural Information

Molecular Formula
C4H4ClNO2S2
SMILES
CC1=NC(=CS1)S(=O)(=O)Cl
InChI
InChI=1S/C4H4ClNO2S2/c1-3-6-4(2-9-3)10(5,7)8/h2H,1H3
InChIKey
NQVMZRZWNPTCJC-UHFFFAOYSA-N
Compound name
2-methyl-1,3-thiazole-4-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

255
Patents

196.9372 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.94448 135.8
[M+Na]+ 219.92642 147.9
[M-H]- 195.92992 139.5
[M+NH4]+ 214.97102 157.5
[M+K]+ 235.90036 143.7
[M+H-H2O]+ 179.93446 132.0
[M+HCOO]- 241.93540 145.2
[M+CH3COO]- 255.95105 175.6
[M+Na-2H]- 217.91187 137.5
[M]+ 196.93665 141.0
[M]- 196.93775 141.0
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

patents stripe