CID 457127

4-amino-n-(3,5-diiodophenyl)benzenesulfonamide

Structural Information

Molecular Formula
C12H10I2N2O2S
SMILES
C1=CC(=CC=C1N)S(=O)(=O)NC2=CC(=CC(=C2)I)I
InChI
InChI=1S/C12H10I2N2O2S/c13-8-5-9(14)7-11(6-8)16-19(17,18)12-3-1-10(15)2-4-12/h1-7,16H,15H2
InChIKey
ZVAJZLRWCJJTBK-UHFFFAOYSA-N
Compound name
4-amino-N-(3,5-diiodophenyl)benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

499.85526 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 500.86254 189.9
[M+Na]+ 522.84448 183.3
[M-H]- 498.84798 183.4
[M+NH4]+ 517.88908 194.7
[M+K]+ 538.81842 190.3
[M+H-H2O]+ 482.85252 176.1
[M+HCOO]- 544.85346 197.7
[M+CH3COO]- 558.86911 219.7
[M+Na-2H]- 520.82993 174.7
[M]+ 499.85471 184.5
[M]- 499.85581 184.5
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.