CID 4581823

66286-21-3

Structural Information

Molecular Formula
C8H4F4O
SMILES
CC(=O)C1=CC(=C(C(=C1F)F)F)F
InChI
InChI=1S/C8H4F4O/c1-3(13)4-2-5(9)7(11)8(12)6(4)10/h2H,1H3
InChIKey
JYKCLBMVRLLJCI-UHFFFAOYSA-N
Compound name
1-(2,3,4,5-tetrafluorophenyl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

44
Patents

192.01982 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.02710 129.2
[M+Na]+ 215.00904 141.0
[M-H]- 191.01254 129.0
[M+NH4]+ 210.05364 149.5
[M+K]+ 230.98298 138.1
[M+H-H2O]+ 175.01708 121.0
[M+HCOO]- 237.01802 149.2
[M+CH3COO]- 251.03367 186.1
[M+Na-2H]- 212.99449 131.7
[M]+ 192.01927 125.6
[M]- 192.02037 125.6
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