CID 3843782

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

Structural Information

Molecular Formula
C13H12Cl2N2O2S
SMILES
CC1=C(C=C(C=C1)NS(=O)(=O)C2=CC(=C(C=C2)Cl)N)Cl
InChI
InChI=1S/C13H12Cl2N2O2S/c1-8-2-3-9(6-12(8)15)17-20(18,19)10-4-5-11(14)13(16)7-10/h2-7,17H,16H2,1H3
InChIKey
ZAMORYKBCYRBBV-UHFFFAOYSA-N
Compound name
3-amino-4-chloro-N-(3-chloro-4-methylphenyl)benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

329.99966 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.00694 169.8
[M+Na]+ 352.98888 180.3
[M-H]- 328.99238 176.6
[M+NH4]+ 348.03348 185.3
[M+K]+ 368.96282 172.9
[M+H-H2O]+ 312.99692 164.8
[M+HCOO]- 374.99786 180.2
[M+CH3COO]- 389.01351 207.7
[M+Na-2H]- 350.97433 172.1
[M]+ 329.99911 174.1
[M]- 330.00021 174.1
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

patents stripe