CID 123052

369-33-5

Structural Information

Molecular Formula
C8H6F2O
SMILES
CC(=O)C1=CC(=C(C=C1)F)F
InChI
InChI=1S/C8H6F2O/c1-5(11)6-2-3-7(9)8(10)4-6/h2-4H,1H3
InChIKey
VWJSSJFLXRMYNV-UHFFFAOYSA-N
Compound name
1-(3,4-difluorophenyl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1081
Patents

156.03867 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.04595 124.9
[M+Na]+ 179.02789 134.8
[M-H]- 155.03139 126.8
[M+NH4]+ 174.07249 146.4
[M+K]+ 195.00183 132.8
[M+H-H2O]+ 139.03593 118.3
[M+HCOO]- 201.03687 147.2
[M+CH3COO]- 215.05252 178.0
[M+Na-2H]- 177.01334 130.1
[M]+ 156.03812 123.1
[M]- 156.03922 123.1
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