CID 20067313

(2,4-difluorophenyl)(4-fluorophenyl)methanone

Structural Information

Molecular Formula
C13H7F3O
SMILES
C1=CC(=CC=C1C(=O)C2=C(C=C(C=C2)F)F)F
InChI
InChI=1S/C13H7F3O/c14-9-3-1-8(2-4-9)13(17)11-6-5-10(15)7-12(11)16/h1-7H
InChIKey
IMMOAYTWCPNYML-UHFFFAOYSA-N
Compound name
(2,4-difluorophenyl)-(4-fluorophenyl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

29
Patents

236.0449 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.05218 145.2
[M+Na]+ 259.03412 155.3
[M-H]- 235.03762 148.8
[M+NH4]+ 254.07872 163.0
[M+K]+ 275.00806 150.7
[M+H-H2O]+ 219.04216 135.8
[M+HCOO]- 281.04310 166.1
[M+CH3COO]- 295.05875 192.7
[M+Na-2H]- 257.01957 148.7
[M]+ 236.04435 141.9
[M]- 236.04545 141.9
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