CID 19760893

1-(5-phenylfuran-2-yl)ethan-1-one

Structural Information

Molecular Formula
C12H10O2
SMILES
CC(=O)C1=CC=C(O1)C2=CC=CC=C2
InChI
InChI=1S/C12H10O2/c1-9(13)11-7-8-12(14-11)10-5-3-2-4-6-10/h2-8H,1H3
InChIKey
KGDNMWUNJUYUPO-UHFFFAOYSA-N
Compound name
1-(5-phenylfuran-2-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

26
Patents

186.06808 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.07536 137.8
[M+Na]+ 209.05730 146.3
[M-H]- 185.06080 145.7
[M+NH4]+ 204.10190 158.0
[M+K]+ 225.03124 145.0
[M+H-H2O]+ 169.06534 131.9
[M+HCOO]- 231.06628 162.5
[M+CH3COO]- 245.08193 181.1
[M+Na-2H]- 207.04275 143.5
[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

literature stripe

Patent stripe

patents stripe