CID 73755

2,3,4,5,6-pentafluorobenzophenone

Structural Information

Molecular Formula
C13H5F5O
SMILES
C1=CC=C(C=C1)C(=O)C2=C(C(=C(C(=C2F)F)F)F)F
InChI
InChI=1S/C13H5F5O/c14-8-7(9(15)11(17)12(18)10(8)16)13(19)6-4-2-1-3-5-6/h1-5H
InChIKey
HCCPWBWOSASKLG-UHFFFAOYSA-N
Compound name
(2,3,4,5,6-pentafluorophenyl)-phenylmethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

262
Patents

272.02606 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.03334 150.7
[M+Na]+ 295.01528 162.7
[M-H]- 271.01878 152.2
[M+NH4]+ 290.05988 167.4
[M+K]+ 310.98922 157.2
[M+H-H2O]+ 255.02332 139.7
[M+HCOO]- 317.02426 169.3
[M+CH3COO]- 331.03991 200.7
[M+Na-2H]- 293.00073 151.4
[M]+ 272.02551 145.7
[M]- 272.02661 145.7
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