CID 100979

2,6-difluorobenzophenone

Structural Information

Molecular Formula
C13H8F2O
SMILES
C1=CC=C(C=C1)C(=O)C2=C(C=CC=C2F)F
InChI
InChI=1S/C13H8F2O/c14-10-7-4-8-11(15)12(10)13(16)9-5-2-1-3-6-9/h1-8H
InChIKey
KTRGJHDNHIPMEY-UHFFFAOYSA-N
Compound name
(2,6-difluorophenyl)-phenylmethanone
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

69
Patents

218.05432 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.061596 142.6
[M+Na]+ 241.043538 151.7
[M-H]- 217.047044 147.2
[M+NH4]+ 236.088143 160.9
[M+K]+ 257.017478 147.5
[M+H-H2O]+ 201.051580 134.0
[M+HCOO]- 263.052521 164.6
[M+CH3COO]- 277.068171 188.8
[M+Na-2H]- 239.028986 147.4
[M]+ 218.05377142 140.0
[M]- 218.05486858 140.0
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