CID 16227751

3-(2-chloropyridine-3-sulfonamido)propanoic acid

Structural Information

Molecular Formula
C8H9ClN2O4S
SMILES
C1=CC(=C(N=C1)Cl)S(=O)(=O)NCCC(=O)O
InChI
InChI=1S/C8H9ClN2O4S/c9-8-6(2-1-4-10-8)16(14,15)11-5-3-7(12)13/h1-2,4,11H,3,5H2,(H,12,13)
InChIKey
XHCOLHODKBUAQD-UHFFFAOYSA-N
Compound name
3-[(2-chloropyridin-3-yl)sulfonylamino]propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

263.99716 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.00444 150.7
[M+Na]+ 286.98638 159.2
[M-H]- 262.98988 152.2
[M+NH4]+ 282.03098 166.2
[M+K]+ 302.96032 154.7
[M+H-H2O]+ 246.99442 145.3
[M+HCOO]- 308.99536 162.8
[M+CH3COO]- 323.01101 189.0
[M+Na-2H]- 284.97183 155.1
[M]+ 263.99661 154.9
[M]- 263.99771 154.9
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.