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]+ 216.051606 165.0
[M+Na]+ 238.033548 172.7
[M-H]- 214.037054 169.1
[M+NH4]+ 233.078153 176.2
[M+K]+ 254.007488 168.5
[M+H-H2O]+ 198.041590 151.3
[M+HCOO]- 260.042531 180.7
[M+CH3COO]- 274.058181 220.2
[M+Na-2H]- 236.018996 167.8
[M]+ 215.04378142 155.9
[M]- 215.04487858 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

literature stripe

Patent stripe

No patent data available for this compound.