CID 97589

Benzenesulfonamide, p-((dicyanomethyl)azo)-

Structural Information

Molecular Formula
C9H7N5O2S
SMILES
C1=CC(=CC=C1N=NC(C#N)C#N)S(=O)(=O)N
InChI
InChI=1S/C9H7N5O2S/c10-5-8(6-11)14-13-7-1-3-9(4-2-7)17(12,15)16/h1-4,8H,(H2,12,15,16)
InChIKey
LZKLFPQFCFFTEA-UHFFFAOYSA-N
Compound name
4-(dicyanomethyldiazenyl)benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

249.03204 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.03932 177.7
[M+Na]+ 272.02126 186.2
[M-H]- 248.02476 182.7
[M+NH4]+ 267.06586 188.8
[M+K]+ 287.99520 185.1
[M+H-H2O]+ 232.02930 161.3
[M+HCOO]- 294.03024 188.6
[M+CH3COO]- 308.04589 226.4
[M+Na-2H]- 270.00671 177.9
[M]+ 249.03149 170.2
[M]- 249.03259 170.2
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.