CID 15848

((p-acetylphenyl)azo)malononitrile

Structural Information

Molecular Formula
C11H8N4O
SMILES
CC(=O)C1=CC=C(C=C1)N=NC(C#N)C#N
InChI
InChI=1S/C11H8N4O/c1-8(16)9-2-4-10(5-3-9)14-15-11(6-12)7-13/h2-5,11H,1H3
InChIKey
MRPWDQRMFQIOMB-UHFFFAOYSA-N
Compound name
2-[(4-acetylphenyl)diazenyl]propanedinitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

212.06981 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.077086 162.0
[M+Na]+ 235.059028 170.4
[M-H]- 211.062534 166.5
[M+NH4]+ 230.103633 174.1
[M+K]+ 251.032968 168.2
[M+H-H2O]+ 195.067070 145.6
[M+HCOO]- 257.068011 176.6
[M+CH3COO]- 271.083661 224.5
[M+Na-2H]- 233.044476 163.4
[M]+ 212.06926142 154.4
[M]- 212.07035858 154.4
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.