CID 693961

2-amino-5-phenylfuran-3-carbonitrile

Structural Information

Molecular Formula
C11H8N2O
SMILES
C1=CC=C(C=C1)C2=CC(=C(O2)N)C#N
InChI
InChI=1S/C11H8N2O/c12-7-9-6-10(14-11(9)13)8-4-2-1-3-5-8/h1-6H,13H2
InChIKey
UWTDTJWGYWUILP-UHFFFAOYSA-N
Compound name
2-amino-5-phenylfuran-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

102
Patents

184.06366 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.07094 142.0
[M+Na]+ 207.05288 153.2
[M-H]- 183.05638 148.0
[M+NH4]+ 202.09748 159.7
[M+K]+ 223.02682 149.3
[M+H-H2O]+ 167.06092 128.8
[M+HCOO]- 229.06186 163.7
[M+CH3COO]- 243.07751 154.6
[M+Na-2H]- 205.03833 147.1
[M]+ 184.06311 136.6
[M]- 184.06421 136.6
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

patents stripe