CID 388369

Nsc683263

Structural Information

Molecular Formula
C7H8N2O4S
SMILES
C1=CC(=CC=C1N=C(N)S(=O)(=O)O)O
InChI
InChI=1S/C7H8N2O4S/c8-7(14(11,12)13)9-5-1-3-6(10)4-2-5/h1-4,10H,(H2,8,9)(H,11,12,13)
InChIKey
DZKRCDCLVRJXRU-UHFFFAOYSA-N
Compound name
amino-(4-hydroxyphenyl)iminomethanesulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

216.02048 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.02776 141.9
[M+Na]+ 239.00970 149.3
[M-H]- 215.01320 144.1
[M+NH4]+ 234.05430 159.1
[M+K]+ 254.98364 146.4
[M+H-H2O]+ 199.01774 135.9
[M+HCOO]- 261.01868 160.2
[M+CH3COO]- 275.03433 182.9
[M+Na-2H]- 236.99515 146.3
[M]+ 216.01993 141.3
[M]- 216.02103 141.3
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

No patent data available for this compound.