CID 10397534

5-methyl-2-phenyl-3-furaldehyde

Structural Information

Molecular Formula
C12H10O2
SMILES
CC1=CC(=C(O1)C2=CC=CC=C2)C=O
InChI
InChI=1S/C12H10O2/c1-9-7-11(8-13)12(14-9)10-5-3-2-4-6-10/h2-8H,1H3
InChIKey
KWEAOVDZILYEET-UHFFFAOYSA-N
Compound name
5-methyl-2-phenylfuran-3-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

186.06808 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.075356 136.7
[M+Na]+ 209.057298 146.5
[M-H]- 185.060804 145.0
[M+NH4]+ 204.101903 157.3
[M+K]+ 225.031238 144.8
[M+H-H2O]+ 169.065340 131.0
[M+HCOO]- 231.066281 162.4
[M+CH3COO]- 245.081931 181.4
[M+Na-2H]- 207.042746 143.0
[M]+ 186.06753142 139.6
[M]- 186.06862858 139.6
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

No patent data available for this compound.