CID 5328785

Ag 127

Structural Information

Molecular Formula
C10H5N3O3
SMILES
C1=CC(=C(C=C1C=C(C#N)C#N)[N+](=O)[O-])O
InChI
InChI=1S/C10H5N3O3/c11-5-8(6-12)3-7-1-2-10(14)9(4-7)13(15)16/h1-4,14H
InChIKey
BQOURLGXLYRASY-UHFFFAOYSA-N
Compound name
2-[(4-hydroxy-3-nitrophenyl)methylidene]propanedinitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

48
References

0
Patents

215.0331 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.040376 166.2
[M+Na]+ 238.022318 175.1
[M-H]- 214.025824 168.6
[M+NH4]+ 233.066923 177.1
[M+K]+ 253.996258 169.2
[M+H-H2O]+ 198.030360 154.0
[M+HCOO]- 260.031301 178.3
[M+CH3COO]- 274.046951 212.6
[M+Na-2H]- 236.007766 167.3
[M]+ 215.03255142 156.3
[M]- 215.03364858 156.3
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.