CID 18961164

1h-imidazole-4-sulfonyl chloride

Structural Information

Molecular Formula

C₃H₃ClN₂O₂S

SMILES

C1=C(NC=N1)S(=O)(=O)Cl

InChI

InChI=1S/C3H3ClN2O2S/c4-9(7,8)3-1-5-2-6-3/h1-2H,(H,5,6)

InChIKey

MXCZCMCHRWGSBX-UHFFFAOYSA-N

Compound name

1H-imidazole-5-sulfonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 276
Patents: 165.96037 Da
Monoisotopic Mass: 0.4
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]+	166.96765	128.3
[M+Na]+	188.94959	139.6
[M-H]-	164.95309	129.0
[M+NH4]+	183.99419	148.8
[M+K]+	204.92353	136.0
[M+H-H2O]+	148.95763	123.6
[M+HCOO]-	210.95857	140.8
[M+CH3COO]-	224.97422	166.5
[M+Na-2H]-	186.93504	133.1
[M]+	165.95982	130.6
[M]-	165.96092	130.6

Literature stripe

literature stripe

Patent stripe

patents stripe