CID 459397

2-amino-5-phenoxybenzenesulfonic acid

Structural Information

Molecular Formula
C12H11NO4S
SMILES
C1=CC=C(C=C1)OC2=CC(=C(C=C2)N)S(=O)(=O)O
InChI
InChI=1S/C12H11NO4S/c13-11-7-6-10(8-12(11)18(14,15)16)17-9-4-2-1-3-5-9/h1-8H,13H2,(H,14,15,16)
InChIKey
JIYZGGKWXQPXOF-UHFFFAOYSA-N
Compound name
2-amino-5-phenoxybenzenesulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

265.0409 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.04818 155.3
[M+Na]+ 288.03012 163.8
[M-H]- 264.03362 160.9
[M+NH4]+ 283.07472 170.9
[M+K]+ 304.00406 159.5
[M+H-H2O]+ 248.03816 148.5
[M+HCOO]- 310.03910 173.7
[M+CH3COO]- 324.05475 191.2
[M+Na-2H]- 286.01557 160.1
[M]+ 265.04035 156.8
[M]- 265.04145 156.8
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.