CID 2769420

5-phenyl-2-furaldehyde

Structural Information

Molecular Formula
C11H8O2
SMILES
C1=CC=C(C=C1)C2=CC=C(O2)C=O
InChI
InChI=1S/C11H8O2/c12-8-10-6-7-11(13-10)9-4-2-1-3-5-9/h1-8H
InChIKey
BMJHNNPEPBZULA-UHFFFAOYSA-N
Compound name
5-phenylfuran-2-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

440
Patents

172.05243 Da
Monoisotopic Mass

1.9
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

literature stripe

Patent stripe

patents stripe