CID 518802

3-phenylfuran

Structural Information

Molecular Formula
C10H8O
SMILES
C1=CC=C(C=C1)C2=COC=C2
InChI
InChI=1S/C10H8O/c1-2-4-9(5-3-1)10-6-7-11-8-10/h1-8H
InChIKey
BNANPEQZOWHZKY-UHFFFAOYSA-N
Compound name
3-phenylfuran
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1526
Patents

144.05751 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 145.064786 125.8
[M+Na]+ 167.046728 134.3
[M-H]- 143.050234 133.5
[M+NH4]+ 162.091333 147.5
[M+K]+ 183.020668 133.2
[M+H-H2O]+ 127.054770 120.1
[M+HCOO]- 189.055711 151.7
[M+CH3COO]- 203.071361 141.2
[M+Na-2H]- 165.032176 134.5
[M]+ 144.05696142 126.3
[M]- 144.05805858 126.3
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