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]+ 187.07536 136.7
[M+Na]+ 209.05730 146.5
[M-H]- 185.06080 145.0
[M+NH4]+ 204.10190 157.3
[M+K]+ 225.03124 144.8
[M+H-H2O]+ 169.06534 131.0
[M+HCOO]- 231.06628 162.4
[M+CH3COO]- 245.08193 181.4
[M+Na-2H]- 207.04275 143.0
[M]+ 186.06753 139.6
[M]- 186.06863 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.