CID 22427

((o-nitrophenyl)azo)malononitrile

Structural Information

Molecular Formula
C9H5N5O2
SMILES
C1=CC=C(C(=C1)N=NC(C#N)C#N)[N+](=O)[O-]
InChI
InChI=1S/C9H5N5O2/c10-5-7(6-11)12-13-8-3-1-2-4-9(8)14(15)16/h1-4,7H
InChIKey
NBRXHBWLQYESNG-UHFFFAOYSA-N
Compound name
2-[(2-nitrophenyl)diazenyl]propanedinitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

215.04433 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.05161 165.0
[M+Na]+ 238.03355 172.7
[M-H]- 214.03705 169.1
[M+NH4]+ 233.07815 176.2
[M+K]+ 254.00749 168.5
[M+H-H2O]+ 198.04159 151.3
[M+HCOO]- 260.04253 180.7
[M+CH3COO]- 274.05818 220.2
[M+Na-2H]- 236.01900 167.8
[M]+ 215.04378 155.9
[M]- 215.04488 155.9
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.