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 134.8
[M+Na]+ 213.96999 148.2
[M+NH4]+ 209.01459 143.3
[M+K]+ 229.94393 140.6
[M-H]- 189.97349 135.8
[M+Na-2H]- 211.95544 140.5
[M]+ 190.98022 137.7
[M]- 190.98132 137.7
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.

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No patent data available for this compound.