CID 79021645

1000180-69-7

Structural Information

Molecular Formula
C8H4ClF3O
SMILES
C1=C(C=C(C(=C1F)F)F)C(=O)CCl
InChI
InChI=1S/C8H4ClF3O/c9-3-7(13)4-1-5(10)8(12)6(11)2-4/h1-2H,3H2
InChIKey
CQQPCUYEDSDSIS-UHFFFAOYSA-N
Compound name
2-chloro-1-(3,4,5-trifluorophenyl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

207.99028 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.997556 131.8
[M+Na]+ 230.979498 143.4
[M-H]- 206.983004 132.3
[M+NH4]+ 226.024103 152.1
[M+K]+ 246.953438 138.9
[M+H-H2O]+ 190.987540 125.2
[M+HCOO]- 252.988481 148.5
[M+CH3COO]- 267.004131 185.8
[M+Na-2H]- 228.964946 135.3
[M]+ 207.98973142 131.2
[M]- 207.99082858 131.2
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