CID 138039563

2241142-23-2

Structural Information

Molecular Formula
C6H6ClNO3S
SMILES
COC1=C(C=C(C=N1)S(=O)O)Cl
InChI
InChI=1S/C6H6ClNO3S/c1-11-6-5(7)2-4(3-8-6)12(9)10/h2-3H,1H3,(H,9,10)
InChIKey
ILVMRBPSYNSBKI-UHFFFAOYSA-N
Compound name
5-chloro-6-methoxypyridine-3-sulfinic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

206.9757 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.98298 134.1
[M+Na]+ 229.96492 144.6
[M-H]- 205.96842 136.2
[M+NH4]+ 225.00952 152.8
[M+K]+ 245.93886 141.1
[M+H-H2O]+ 189.97296 129.5
[M+HCOO]- 251.97390 146.9
[M+CH3COO]- 265.98955 178.4
[M+Na-2H]- 227.95037 137.4
[M]+ 206.97515 139.3
[M]- 206.97625 139.3
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.