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]+ 209.014596 140.3
[M+Na]+ 230.996538 151.3
[M-H]- 207.000044 142.5
[M+NH4]+ 226.041143 160.1
[M+K]+ 246.970478 148.3
[M+H-H2O]+ 191.004580 135.2
[M+HCOO]- 253.005521 152.4
[M+CH3COO]- 267.021171 180.1
[M+Na-2H]- 228.981986 142.5
[M]+ 208.00677142 145.4
[M]- 208.00786858 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.