CID 64151937

1-(cyclopropylmethyl)-2-ethyl-1h-imidazole-4-sulfonyl chloride

Structural Information

Molecular Formula
C9H13ClN2O2S
SMILES
CCC1=NC(=CN1CC2CC2)S(=O)(=O)Cl
InChI
InChI=1S/C9H13ClN2O2S/c1-2-8-11-9(15(10,13)14)6-12(8)5-7-3-4-7/h6-7H,2-5H2,1H3
InChIKey
IKDWNJXUXOJJBQ-UHFFFAOYSA-N
Compound name
1-(cyclopropylmethyl)-2-ethylimidazole-4-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

248.03862 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.04590 153.2
[M+Na]+ 271.02784 165.1
[M-H]- 247.03134 158.5
[M+NH4]+ 266.07244 166.5
[M+K]+ 287.00178 159.5
[M+H-H2O]+ 231.03588 146.8
[M+HCOO]- 293.03682 165.7
[M+CH3COO]- 307.05247 190.8
[M+Na-2H]- 269.01329 154.3
[M]+ 248.03807 160.8
[M]- 248.03917 160.8
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.