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]+ 213.07709 162.0
[M+Na]+ 235.05903 170.4
[M-H]- 211.06253 166.5
[M+NH4]+ 230.10363 174.1
[M+K]+ 251.03297 168.2
[M+H-H2O]+ 195.06707 145.6
[M+HCOO]- 257.06801 176.6
[M+CH3COO]- 271.08366 224.5
[M+Na-2H]- 233.04448 163.4
[M]+ 212.06926 154.4
[M]- 212.07036 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.