CID 137951457

6-chloro-4-methylpyridine-3-sulfinic acid

Structural Information

Molecular Formula
C6H6ClNO2S
SMILES
CC1=CC(=NC=C1S(=O)O)Cl
InChI
InChI=1S/C6H6ClNO2S/c1-4-2-6(7)8-3-5(4)11(9)10/h2-3H,1H3,(H,9,10)
InChIKey
QLXILJWFQJERPH-UHFFFAOYSA-N
Compound name
6-chloro-4-methylpyridine-3-sulfinic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

190.98077 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.98805 131.1
[M+Na]+ 213.96999 141.8
[M-H]- 189.97349 133.2
[M+NH4]+ 209.01459 150.6
[M+K]+ 229.94393 137.8
[M+H-H2O]+ 173.97803 126.7
[M+HCOO]- 235.97897 143.6
[M+CH3COO]- 249.99462 176.3
[M+Na-2H]- 211.95544 134.2
[M]+ 190.98022 134.9
[M]- 190.98132 134.9
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.