CID 132398514

2172152-41-7

Structural Information

Molecular Formula

C₄H₅ClN₂O₂S

SMILES

CN1C(=CN=C1Cl)S(=O)O

InChI

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

InChIKey

CPAHKGGPDSXOEQ-UHFFFAOYSA-N

Compound name

2-chloro-3-methylimidazole-4-sulfinic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 179.97603 Da
Monoisotopic Mass: 0.5
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	133.4
[M+Na]+	202.96525	144.9
[M+NH4]+	198.00985	141.0
[M+K]+	218.93919	140.2
[M-H]-	178.96875	132.6
[M+Na-2H]-	200.95070	137.0
[M]+	179.97548	135.3
[M]-	179.97658	135.3

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.