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]+	180.983306	130.2
[M+Na]+	202.965248	141.8
[M-H]-	178.968754	131.2
[M+NH4]+	198.009853	150.5
[M+K]+	218.939188	138.6
[M+H-H2O]+	162.973290	125.4
[M+HCOO]-	224.974231	142.7
[M+CH3COO]-	238.989881	173.2
[M+Na-2H]-	200.950696	131.5
[M]+	179.97548142	134.2
[M]-	179.97657858	134.2

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.