CID 11789888

2-amino-4-phenylfuran-3-carbonitrile

Structural Information

Molecular Formula
C11H8N2O
SMILES
C1=CC=C(C=C1)C2=COC(=C2C#N)N
InChI
InChI=1S/C11H8N2O/c12-6-9-10(7-14-11(9)13)8-4-2-1-3-5-8/h1-5,7H,13H2
InChIKey
QNGBQONBZBPFQI-UHFFFAOYSA-N
Compound name
2-amino-4-phenylfuran-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

54
Patents

184.06366 Da
Monoisotopic Mass

2.5
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

No literature data available for this compound.

Patent stripe

patents stripe