CID 3293350

2-(5-formyl-2-furyl)benzonitrile

Structural Information

Molecular Formula
C12H7NO2
SMILES
C1=CC=C(C(=C1)C#N)C2=CC=C(O2)C=O
InChI
InChI=1S/C12H7NO2/c13-7-9-3-1-2-4-11(9)12-6-5-10(8-14)15-12/h1-6,8H
InChIKey
AXHWLBNYUIICMH-UHFFFAOYSA-N
Compound name
2-(5-formylfuran-2-yl)benzonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

197.04768 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.054956 142.6
[M+Na]+ 220.036898 154.7
[M-H]- 196.040404 149.1
[M+NH4]+ 215.081503 160.4
[M+K]+ 236.010838 150.6
[M+H-H2O]+ 180.044940 129.7
[M+HCOO]- 242.045881 164.3
[M+CH3COO]- 256.061531 194.7
[M+Na-2H]- 218.022346 148.0
[M]+ 197.04713142 139.8
[M]- 197.04822858 139.8
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