CID 910608

[(3-nitrophenyl)hydrazono]malononitrile

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

215.04433 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.05161 166.3
[M+Na]+ 238.03355 173.7
[M-H]- 214.03705 169.5
[M+NH4]+ 233.07815 177.0
[M+K]+ 254.00749 169.0
[M+H-H2O]+ 198.04159 152.9
[M+HCOO]- 260.04253 181.0
[M+CH3COO]- 274.05818 218.4
[M+Na-2H]- 236.01900 168.7
[M]+ 215.04378 156.0
[M]- 215.04488 156.0
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

patents stripe