CID 21964491

1402412-84-3

Structural Information

Molecular Formula
C8H6F2O
SMILES
C1=CC=C(C(=C1)C(=O)CF)F
InChI
InChI=1S/C8H6F2O/c9-5-8(11)6-3-1-2-4-7(6)10/h1-4H,5H2
InChIKey
KIOMSGFSUOJAHM-UHFFFAOYSA-N
Compound name
2-fluoro-1-(2-fluorophenyl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

231
Patents

156.03867 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.04595 125.9
[M+Na]+ 179.02789 134.8
[M-H]- 155.03139 127.3
[M+NH4]+ 174.07249 146.9
[M+K]+ 195.00183 132.7
[M+H-H2O]+ 139.03593 118.9
[M+HCOO]- 201.03687 148.1
[M+CH3COO]- 215.05252 176.9
[M+Na-2H]- 177.01334 131.7
[M]+ 156.03812 123.6
[M]- 156.03922 123.6
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

patents stripe