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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.98331 130.2
[M+Na]+ 202.96525 141.8
[M-H]- 178.96875 131.2
[M+NH4]+ 198.00985 150.5
[M+K]+ 218.93919 138.6
[M+H-H2O]+ 162.97329 125.4
[M+HCOO]- 224.97423 142.7
[M+CH3COO]- 238.98988 173.2
[M+Na-2H]- 200.95070 131.5
[M]+ 179.97548 134.2
[M]- 179.97658 134.2
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

No patent data available for this compound.