CID 3052669

Bis(2-benzoyl-4-sulfoanilino)zinc trihydrate

Structural Information

Molecular Formula
C13H11NO4S
SMILES
C1=CC=C(C=C1)C(=O)C2=C(C=CC(=C2)S(=O)(=O)O)N
InChI
InChI=1S/C13H11NO4S/c14-12-7-6-10(19(16,17)18)8-11(12)13(15)9-4-2-1-3-5-9/h1-8H,14H2,(H,16,17,18)
InChIKey
WYXZFMYJRICDOO-UHFFFAOYSA-N
Compound name
4-amino-3-benzoylbenzenesulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

277.0409 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.04818 159.0
[M+Na]+ 300.03012 170.5
[M+NH4]+ 295.07472 165.5
[M+K]+ 316.00406 164.3
[M-H]- 276.03362 161.3
[M+Na-2H]- 298.01557 165.9
[M]+ 277.04035 161.6
[M]- 277.04145 161.6
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.