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]+ 283.030256 159.5
[M+Na]+ 305.012198 169.5
[M-H]- 281.015704 166.2
[M+NH4]+ 300.056803 176.0
[M+K]+ 320.986138 162.9
[M+H-H2O]+ 265.020240 153.7
[M+HCOO]- 327.021181 174.7
[M+CH3COO]- 341.036831 198.7
[M+Na-2H]- 302.997646 162.7
[M]+ 282.02243142 160.9
[M]- 282.02352858 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.