CID 169501861

Salicyluric-sulfate

Structural Information

Molecular Formula
C9H9NO7S
SMILES
C1=CC=C(C(=C1)C(=O)NCC(=O)OS(=O)(=O)O)O
InChI
InChI=1S/C9H9NO7S/c11-7-4-2-1-3-6(7)9(13)10-5-8(12)17-18(14,15)16/h1-4,11H,5H2,(H,10,13)(H,14,15,16)
InChIKey
FPRGNYUSFVQDIK-UHFFFAOYSA-N
Compound name
sulfo 2-[(2-hydroxybenzoyl)amino]acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

275.00998 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.01726 155.9
[M+Na]+ 297.99920 162.7
[M+NH4]+ 293.04380 159.4
[M+K]+ 313.97314 160.2
[M-H]- 274.00270 152.8
[M+Na-2H]- 295.98465 157.8
[M]+ 275.00943 155.8
[M]- 275.01053 155.8
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.