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 166.2
[M+Na]+ 238.02232 175.1
[M-H]- 214.02582 168.6
[M+NH4]+ 233.06692 177.1
[M+K]+ 253.99626 169.2
[M+H-H2O]+ 198.03036 154.0
[M+HCOO]- 260.03130 178.3
[M+CH3COO]- 274.04695 212.6
[M+Na-2H]- 236.00777 167.3
[M]+ 215.03255 156.3
[M]- 215.03365 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.