CID 2077655

612044-14-1

Structural Information

Molecular Formula
C9H8N2O4S
SMILES
C1=CC=C(C(=C1)C#N)S(=O)(=O)NCC(=O)O
InChI
InChI=1S/C9H8N2O4S/c10-5-7-3-1-2-4-8(7)16(14,15)11-6-9(12)13/h1-4,11H,6H2,(H,12,13)
InChIKey
FFCZGKASBBKMFO-UHFFFAOYSA-N
Compound name
2-[(2-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 148.2
[M+Na]+ 263.00970 156.8
[M+NH4]+ 258.05430 150.6
[M+K]+ 278.98364 148.9
[M-H]- 239.01320 140.5
[M+Na-2H]- 260.99515 149.9
[M]+ 240.01993 146.5
[M]- 240.02103 146.5
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.