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]+ 216.04038 170.7
[M+Na]+ 238.02232 179.1
[M+NH4]+ 233.06692 170.5
[M+K]+ 253.99626 170.9
[M-H]- 214.02582 160.9
[M+Na-2H]- 236.00777 169.1
[M]+ 215.03255 167.7
[M]- 215.03365 167.7
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.