CID 2106567

2-(4-cyanobenzenesulfonamido)acetic acid

Structural Information

Molecular Formula
C9H8N2O4S
SMILES
C1=CC(=CC=C1C#N)S(=O)(=O)NCC(=O)O
InChI
InChI=1S/C9H8N2O4S/c10-5-7-1-3-8(4-2-7)16(14,15)11-6-9(12)13/h1-4,11H,6H2,(H,12,13)
InChIKey
FDHUUEBQWGBPMV-UHFFFAOYSA-N
Compound name
2-[(4-cyanophenyl)sulfonylamino]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

240.02048 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.02776 159.3
[M+Na]+ 263.00970 168.5
[M-H]- 239.01320 161.9
[M+NH4]+ 258.05430 174.3
[M+K]+ 278.98364 165.8
[M+H-H2O]+ 223.01774 146.9
[M+HCOO]- 285.01868 173.3
[M+CH3COO]- 299.03433 198.5
[M+Na-2H]- 260.99515 162.2
[M]+ 240.01993 155.9
[M]- 240.02103 155.9
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

patents stripe