CID 10583549

2-methyl-1h-imidazole-5-sulfonyl chloride

Structural Information

Molecular Formula
C4H5ClN2O2S
SMILES
CC1=NC=C(N1)S(=O)(=O)Cl
InChI
InChI=1S/C4H5ClN2O2S/c1-3-6-2-4(7-3)10(5,8)9/h2H,1H3,(H,6,7)
InChIKey
QZSIDBSNCFPOCI-UHFFFAOYSA-N
Compound name
2-methyl-1H-imidazole-5-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

214
Patents

179.97603 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.983306 132.5
[M+Na]+ 202.965248 144.2
[M-H]- 178.968754 133.4
[M+NH4]+ 198.009853 152.7
[M+K]+ 218.939188 140.2
[M+H-H2O]+ 162.973290 127.8
[M+HCOO]- 224.974231 144.6
[M+CH3COO]- 238.989881 170.7
[M+Na-2H]- 200.950696 136.1
[M]+ 179.97548142 135.5
[M]- 179.97657858 135.5
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

patents stripe