CID 58077594

2,2,2-trifluoro-1-(3,4,5-trichlorophenyl)ethanone

Structural Information

Molecular Formula
C8H2Cl3F3O
SMILES
C1=C(C=C(C(=C1Cl)Cl)Cl)C(=O)C(F)(F)F
InChI
InChI=1S/C8H2Cl3F3O/c9-4-1-3(2-5(10)6(4)11)7(15)8(12,13)14/h1-2H
InChIKey
NVMZCQYOSPFJLE-UHFFFAOYSA-N
Compound name
2,2,2-trifluoro-1-(3,4,5-trichlorophenyl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

185
Patents

275.91232 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.91960 142.0
[M+Na]+ 298.90154 154.2
[M-H]- 274.90504 141.1
[M+NH4]+ 293.94614 160.0
[M+K]+ 314.87548 147.7
[M+H-H2O]+ 258.90958 137.2
[M+HCOO]- 320.91052 146.8
[M+CH3COO]- 334.92617 195.4
[M+Na-2H]- 296.88699 144.6
[M]+ 275.91177 142.2
[M]- 275.91287 142.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe