CID 257479

1,4-benzenediol, 2-[(4-aminophenyl)sulfonyl]-

Structural Information

Molecular Formula
C12H11NO4S
SMILES
C1=CC(=CC=C1N)S(=O)(=O)C2=C(C=CC(=C2)O)O
InChI
InChI=1S/C12H11NO4S/c13-8-1-4-10(5-2-8)18(16,17)12-7-9(14)3-6-11(12)15/h1-7,14-15H,13H2
InChIKey
UOPFCBSLFZVUQM-UHFFFAOYSA-N
Compound name
2-(4-aminophenyl)sulfonylbenzene-1,4-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

265.0409 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.04818 155.3
[M+Na]+ 288.03012 164.2
[M-H]- 264.03362 159.8
[M+NH4]+ 283.07472 170.4
[M+K]+ 304.00406 159.1
[M+H-H2O]+ 248.03816 148.9
[M+HCOO]- 310.03910 172.0
[M+CH3COO]- 324.05475 190.1
[M+Na-2H]- 286.01557 159.0
[M]+ 265.04035 155.4
[M]- 265.04145 155.4
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.