CID 83643

13670-99-0

Structural Information

Molecular Formula
C8H6F2O
SMILES
CC(=O)C1=C(C=CC=C1F)F
InChI
InChI=1S/C8H6F2O/c1-5(11)8-6(9)3-2-4-7(8)10/h2-4H,1H3
InChIKey
VGIIILXIQLXVLC-UHFFFAOYSA-N
Compound name
1-(2,6-difluorophenyl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

860
Patents

156.03867 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.045946 124.9
[M+Na]+ 179.027888 134.8
[M-H]- 155.031394 126.8
[M+NH4]+ 174.072493 146.4
[M+K]+ 195.001828 132.8
[M+H-H2O]+ 139.035930 118.3
[M+HCOO]- 201.036871 147.2
[M+CH3COO]- 215.052521 178.0
[M+Na-2H]- 177.013336 130.1
[M]+ 156.03812142 123.1
[M]- 156.03921858 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