CID 5936356

Nsc643140

Structural Information

Molecular Formula
C13H8N2O3
SMILES
C1=CC=C(C=C1)/C(=C/C2=CC=C(O2)[N+](=O)[O-])/C#N
InChI
InChI=1S/C13H8N2O3/c14-9-11(10-4-2-1-3-5-10)8-12-6-7-13(18-12)15(16)17/h1-8H/b11-8+
InChIKey
WQDXPOZUDGGDSD-DHZHZOJOSA-N
Compound name
(Z)-3-(5-nitrofuran-2-yl)-2-phenylprop-2-enenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

240.0535 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.06078 161.9
[M+Na]+ 263.04272 170.7
[M-H]- 239.04622 167.5
[M+NH4]+ 258.08732 176.5
[M+K]+ 279.01666 163.0
[M+H-H2O]+ 223.05076 152.0
[M+HCOO]- 285.05170 182.6
[M+CH3COO]- 299.06735 195.9
[M+Na-2H]- 261.02817 166.4
[M]+ 240.05295 155.7
[M]- 240.05405 155.7
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

No patent data available for this compound.