CID 201640

Ketone, 3-furyl phenyl

Structural Information

Molecular Formula
C11H8O2
SMILES
C1=CC(=CC(=C1)C2=CC=CO2)C=O
InChI
InChI=1S/C11H8O2/c12-8-9-3-1-4-10(7-9)11-5-2-6-13-11/h1-8H
InChIKey
BTAANNDAXIYWAN-UHFFFAOYSA-N
Compound name
3-(furan-2-yl)benzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

110
Patents

172.05243 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.059706 132.5
[M+Na]+ 195.041648 141.7
[M-H]- 171.045154 140.5
[M+NH4]+ 190.086253 153.3
[M+K]+ 211.015588 140.2
[M+H-H2O]+ 155.049690 126.7
[M+HCOO]- 217.050631 158.5
[M+CH3COO]- 231.066281 177.2
[M+Na-2H]- 193.027096 140.0
[M]+ 172.05188142 134.5
[M]- 172.05297858 134.5
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