CID 458051

4-(4-chlorophenyl)sulfonylbenzene-1,3-diamine

Structural Information

Molecular Formula
C12H11ClN2O2S
SMILES
C1=CC(=CC=C1S(=O)(=O)C2=C(C=C(C=C2)N)N)Cl
InChI
InChI=1S/C12H11ClN2O2S/c13-8-1-4-10(5-2-8)18(16,17)12-6-3-9(14)7-11(12)15/h1-7H,14-15H2
InChIKey
MWYWHIGJJMWYGD-UHFFFAOYSA-N
Compound name
4-(4-chlorophenyl)sulfonylbenzene-1,3-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

282.02298 Da
Monoisotopic Mass

1.7
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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.