CID 54251266

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

Structural Information

Molecular Formula

C₄H₅ClN₂O₂S

SMILES

CC1=CN=C(N1)S(=O)(=O)Cl

InChI

InChI=1S/C4H5ClN2O2S/c1-3-2-6-4(7-3)10(5,8)9/h2H,1H3,(H,6,7)

InChIKey

QWXOUBJZDKTCDV-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 30
Patents: 179.97603 Da
Monoisotopic Mass: 0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	180.98331	132.5
[M+Na]+	202.96525	144.2
[M-H]-	178.96875	133.4
[M+NH4]+	198.00985	152.7
[M+K]+	218.93919	140.2
[M+H-H2O]+	162.97329	127.8
[M+HCOO]-	224.97423	144.6
[M+CH3COO]-	238.98988	170.7
[M+Na-2H]-	200.95070	136.1
[M]+	179.97548	135.5
[M]-	179.97658	135.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe