CID 54595262

1-(propan-2-yl)-1h-imidazole-4-sulfonyl chloride

Structural Information

Molecular Formula
C6H9ClN2O2S
SMILES
CC(C)N1C=C(N=C1)S(=O)(=O)Cl
InChI
InChI=1S/C6H9ClN2O2S/c1-5(2)9-3-6(8-4-9)12(7,10)11/h3-5H,1-2H3
InChIKey
ANCMLGODQYIJMA-UHFFFAOYSA-N
Compound name
1-propan-2-ylimidazole-4-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

208.00732 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.01460 140.3
[M+Na]+ 230.99654 151.3
[M-H]- 207.00004 142.5
[M+NH4]+ 226.04114 160.1
[M+K]+ 246.97048 148.3
[M+H-H2O]+ 191.00458 135.2
[M+HCOO]- 253.00552 152.4
[M+CH3COO]- 267.02117 180.1
[M+Na-2H]- 228.98199 142.5
[M]+ 208.00677 145.4
[M]- 208.00787 145.4
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.