CID 112706679

2-(1h-imidazol-1-yl)ethane-1-sulfonyl chloride hydrochloride

Structural Information

Molecular Formula
C5H7ClN2O2S
SMILES
C1=CN(C=N1)CCS(=O)(=O)Cl
InChI
InChI=1S/C5H7ClN2O2S/c6-11(9,10)4-3-8-2-1-7-5-8/h1-2,5H,3-4H2
InChIKey
BSEZCJRXTZNQBL-UHFFFAOYSA-N
Compound name
2-imidazol-1-ylethanesulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

193.99167 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.998946 136.9
[M+Na]+ 216.980888 147.7
[M-H]- 192.984394 138.6
[M+NH4]+ 212.025493 156.9
[M+K]+ 232.954828 144.5
[M+H-H2O]+ 176.988930 131.4
[M+HCOO]- 238.989871 150.2
[M+CH3COO]- 253.005521 175.2
[M+Na-2H]- 214.966336 141.1
[M]+ 193.99112142 141.7
[M]- 193.99221858 141.7
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.