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]+ 194.99895 136.9
[M+Na]+ 216.98089 147.7
[M-H]- 192.98439 138.6
[M+NH4]+ 212.02549 156.9
[M+K]+ 232.95483 144.5
[M+H-H2O]+ 176.98893 131.4
[M+HCOO]- 238.98987 150.2
[M+CH3COO]- 253.00552 175.2
[M+Na-2H]- 214.96634 141.1
[M]+ 193.99112 141.7
[M]- 193.99222 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.