CID 736695

2-cyano-3-(4-nitrophenyl)acrylamide

Structural Information

Molecular Formula
C10H7N3O3
SMILES
C1=CC(=CC=C1/C=C(\C#N)/C(=O)N)[N+](=O)[O-]
InChI
InChI=1S/C10H7N3O3/c11-6-8(10(12)14)5-7-1-3-9(4-2-7)13(15)16/h1-5H,(H2,12,14)/b8-5+
InChIKey
VIDRAZPPCGWQKU-VMPITWQZSA-N
Compound name
(E)-2-cyano-3-(4-nitrophenyl)prop-2-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

217.04874 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.056016 154.6
[M+Na]+ 240.037958 162.1
[M-H]- 216.041464 157.0
[M+NH4]+ 235.082563 169.3
[M+K]+ 256.011898 155.8
[M+H-H2O]+ 200.046000 145.6
[M+HCOO]- 262.046941 174.8
[M+CH3COO]- 276.062591 195.0
[M+Na-2H]- 238.023406 157.8
[M]+ 217.04819142 145.8
[M]- 217.04928858 145.8
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.