CID 5460855

N-hydroxy-4-aminobiphenyl o-sulfate

Structural Information

Molecular Formula
C12H11NO4S
SMILES
C1=CC=C(C=C1)C2=CC=C(C=C2)NOS(=O)(=O)O
InChI
InChI=1S/C12H11NO4S/c14-18(15,16)17-13-12-8-6-11(7-9-12)10-4-2-1-3-5-10/h1-9,13H,(H,14,15,16)
InChIKey
MMVAWBIOMJBQHT-UHFFFAOYSA-N
Compound name
(4-phenylanilino) hydrogen sulfate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

265.0409 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.048176 154.8
[M+Na]+ 288.030118 162.5
[M-H]- 264.033624 160.6
[M+NH4]+ 283.074723 170.5
[M+K]+ 304.004058 158.5
[M+H-H2O]+ 248.038160 147.8
[M+HCOO]- 310.039101 173.9
[M+CH3COO]- 324.054751 190.5
[M+Na-2H]- 286.015566 161.3
[M]+ 265.04035142 156.9
[M]- 265.04144858 156.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.