CID 223179

4-(4-aminophenyl)sulfonyl-2-chloroaniline

Structural Information

Molecular Formula
C12H11ClN2O2S
SMILES
C1=CC(=CC=C1N)S(=O)(=O)C2=CC(=C(C=C2)N)Cl
InChI
InChI=1S/C12H11ClN2O2S/c13-11-7-10(5-6-12(11)15)18(16,17)9-3-1-8(14)2-4-9/h1-7H,14-15H2
InChIKey
RUARXDOHHXUAHU-UHFFFAOYSA-N
Compound name
4-(4-aminophenyl)sulfonyl-2-chloroaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

2
Patents

282.02298 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.03026 159.5
[M+Na]+ 305.01220 169.5
[M-H]- 281.01570 166.2
[M+NH4]+ 300.05680 176.0
[M+K]+ 320.98614 162.9
[M+H-H2O]+ 265.02024 153.7
[M+HCOO]- 327.02118 174.7
[M+CH3COO]- 341.03683 198.7
[M+Na-2H]- 302.99765 162.7
[M]+ 282.02243 160.9
[M]- 282.02353 160.9
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

patents stripe