CID 10583609

1,3-thiazole-4-sulfonyl chloride

Structural Information

Molecular Formula
C3H2ClNO2S2
SMILES
C1=C(N=CS1)S(=O)(=O)Cl
InChI
InChI=1S/C3H2ClNO2S2/c4-9(6,7)3-1-8-2-5-3/h1-2H
InChIKey
QBBJFQBYISAYRW-UHFFFAOYSA-N
Compound name
1,3-thiazole-4-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

182.92155 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.92883 132.1
[M+Na]+ 205.91077 143.9
[M-H]- 181.91427 135.7
[M+NH4]+ 200.95537 154.1
[M+K]+ 221.88471 140.0
[M+H-H2O]+ 165.91881 128.3
[M+HCOO]- 227.91975 141.9
[M+CH3COO]- 241.93540 171.6
[M+Na-2H]- 203.89622 134.9
[M]+ 182.92100 136.6
[M]- 182.92210 136.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe