CID 2762861

6-chloropyridine-3-sulfonic acid

Structural Information

Molecular Formula
C5H4ClNO3S
SMILES
C1=CC(=NC=C1S(=O)(=O)O)Cl
InChI
InChI=1S/C5H4ClNO3S/c6-5-2-1-4(3-7-5)11(8,9)10/h1-3H,(H,8,9,10)
InChIKey
NWKWBQDPHGDVAI-UHFFFAOYSA-N
Compound name
6-chloropyridine-3-sulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

120
Patents

192.96004 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.96732 131.6
[M+Na]+ 215.94926 142.6
[M-H]- 191.95276 133.7
[M+NH4]+ 210.99386 150.7
[M+K]+ 231.92320 138.6
[M+H-H2O]+ 175.95730 127.3
[M+HCOO]- 237.95824 144.3
[M+CH3COO]- 251.97389 172.9
[M+Na-2H]- 213.93471 137.7
[M]+ 192.95949 135.3
[M]- 192.96059 135.3
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

patents stripe