CID 136467

Octafluoroacetophenone

Structural Information

Molecular Formula
C8F8O
SMILES
C1(=C(C(=C(C(=C1F)F)F)F)F)C(=O)C(F)(F)F
InChI
InChI=1S/C8F8O/c9-2-1(7(17)8(14,15)16)3(10)5(12)6(13)4(2)11
InChIKey
IIDKLGQPNPUKBQ-UHFFFAOYSA-N
Compound name
2,2,2-trifluoro-1-(2,3,4,5,6-pentafluorophenyl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

364
Patents

263.98215 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.98943 141.3
[M+Na]+ 286.97137 154.6
[M-H]- 262.97487 136.4
[M+NH4]+ 282.01597 158.5
[M+K]+ 302.94531 150.4
[M+H-H2O]+ 246.97941 130.0
[M+HCOO]- 308.98035 155.2
[M+CH3COO]- 322.99600 198.9
[M+Na-2H]- 284.95682 141.3
[M]+ 263.98160 132.1
[M]- 263.98270 132.1
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