CID 69546

652-29-9

Structural Information

Molecular Formula
C8H3F5O
SMILES
CC(=O)C1=C(C(=C(C(=C1F)F)F)F)F
InChI
InChI=1S/C8H3F5O/c1-2(14)3-4(9)6(11)8(13)7(12)5(3)10/h1H3
InChIKey
FBGHCYZBCMDEOX-UHFFFAOYSA-N
Compound name
1-(2,3,4,5,6-pentafluorophenyl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

583
Patents

210.0104 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.01768 131.5
[M+Na]+ 232.99962 144.2
[M-H]- 209.00312 130.2
[M+NH4]+ 228.04422 151.2
[M+K]+ 248.97356 140.9
[M+H-H2O]+ 193.00766 122.5
[M+HCOO]- 255.00860 150.3
[M+CH3COO]- 269.02425 190.3
[M+Na-2H]- 230.98507 132.7
[M]+ 210.00985 127.0
[M]- 210.01095 127.0
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