CID 3049405

Brn 0661565

Structural Information

Molecular Formula
C10H8N4O2S
SMILES
CS(=O)(=O)C1=CC=C(C=C1)NN=C(C#N)C#N
InChI
InChI=1S/C10H8N4O2S/c1-17(15,16)10-4-2-8(3-5-10)13-14-9(6-11)7-12/h2-5,13H,1H3
InChIKey
JTECYLFDYRKFPG-UHFFFAOYSA-N
Compound name
2-[(4-methylsulfonylphenyl)hydrazinylidene]propanedinitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

248.0368 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.04408 177.9
[M+Na]+ 271.02602 186.8
[M-H]- 247.02952 182.6
[M+NH4]+ 266.07062 189.2
[M+K]+ 286.99996 184.8
[M+H-H2O]+ 231.03406 162.0
[M+HCOO]- 293.03500 187.7
[M+CH3COO]- 307.05065 223.8
[M+Na-2H]- 269.01147 178.0
[M]+ 248.03625 170.8
[M]- 248.03735 170.8
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.