CID 910608

55653-14-0

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

13
Patents

215.04433 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.051606 166.3
[M+Na]+ 238.033548 173.7
[M-H]- 214.037054 169.5
[M+NH4]+ 233.078153 177.0
[M+K]+ 254.007488 169.0
[M+H-H2O]+ 198.041590 152.9
[M+HCOO]- 260.042531 181.0
[M+CH3COO]- 274.058181 218.4
[M+Na-2H]- 236.018996 168.7
[M]+ 215.04378142 156.0
[M]- 215.04487858 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