CID 130630651

1-(2,3-dihydro-1-benzofuran-6-yl)-2,2,2-trifluoroethan-1-one

Structural Information

Molecular Formula
C10H7F3O2
SMILES
C1COC2=C1C=CC(=C2)C(=O)C(F)(F)F
InChI
InChI=1S/C10H7F3O2/c11-10(12,13)9(14)7-2-1-6-3-4-15-8(6)5-7/h1-2,5H,3-4H2
InChIKey
CSGZIONJNJPONT-UHFFFAOYSA-N
Compound name
1-(2,3-dihydro-1-benzofuran-6-yl)-2,2,2-trifluoroethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

216.03981 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.047086 140.1
[M+Na]+ 239.029028 149.1
[M-H]- 215.032534 141.6
[M+NH4]+ 234.073633 160.2
[M+K]+ 255.002968 147.5
[M+H-H2O]+ 199.037070 133.0
[M+HCOO]- 261.038011 157.6
[M+CH3COO]- 275.053661 185.1
[M+Na-2H]- 237.014476 145.6
[M]+ 216.03926142 137.0
[M]- 216.04035858 137.0
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.