CID 3863925

3-amino-4-chloro-n-(2-iodo-5-methylphenyl)benzene-1-sulfonamide

Structural Information

Molecular Formula
C13H12ClIN2O2S
SMILES
CC1=CC(=C(C=C1)I)NS(=O)(=O)C2=CC(=C(C=C2)Cl)N
InChI
InChI=1S/C13H12ClIN2O2S/c1-8-2-5-11(15)13(6-8)17-20(18,19)9-3-4-10(14)12(16)7-9/h2-7,17H,16H2,1H3
InChIKey
QSZXYXBXFPMTNM-UHFFFAOYSA-N
Compound name
3-amino-4-chloro-N-(2-iodo-5-methylphenyl)benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

421.93527 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 422.94255 182.6
[M+Na]+ 444.92449 185.2
[M-H]- 420.92799 182.4
[M+NH4]+ 439.96909 193.3
[M+K]+ 460.89843 184.6
[M+H-H2O]+ 404.93253 172.5
[M+HCOO]- 466.93347 192.7
[M+CH3COO]- 480.94912 213.3
[M+Na-2H]- 442.90994 173.0
[M]+ 421.93472 182.7
[M]- 421.93582 182.7
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.