CID 2818130

5-(3-nitrophenyl)furan-2-carbonitrile

Structural Information

Molecular Formula
C11H6N2O3
SMILES
C1=CC(=CC(=C1)[N+](=O)[O-])C2=CC=C(O2)C#N
InChI
InChI=1S/C11H6N2O3/c12-7-10-4-5-11(16-10)8-2-1-3-9(6-8)13(14)15/h1-6H
InChIKey
LPVFWLRZUKSHEK-UHFFFAOYSA-N
Compound name
5-(3-nitrophenyl)furan-2-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

214.03784 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.045116 151.3
[M+Na]+ 237.027058 161.6
[M-H]- 213.030564 157.5
[M+NH4]+ 232.071663 167.3
[M+K]+ 253.000998 154.7
[M+H-H2O]+ 197.035100 142.0
[M+HCOO]- 259.036041 173.4
[M+CH3COO]- 273.051691 192.3
[M+Na-2H]- 235.012506 157.6
[M]+ 214.03729142 146.2
[M]- 214.03838858 146.2
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.