CID 121350252

1214373-78-0

Structural Information

Molecular Formula
C8H4BrF3O
SMILES
C1=C(C=C(C(=C1C(=O)CBr)F)F)F
InChI
InChI=1S/C8H4BrF3O/c9-3-7(13)5-1-4(10)2-6(11)8(5)12/h1-2H,3H2
InChIKey
PEXKECGOLQXUFE-UHFFFAOYSA-N
Compound name
2-bromo-1-(2,3,5-trifluorophenyl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

251.93976 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.94704 142.1
[M+Na]+ 274.92898 155.7
[M-H]- 250.93248 145.4
[M+NH4]+ 269.97358 163.2
[M+K]+ 290.90292 144.1
[M+H-H2O]+ 234.93702 140.2
[M+HCOO]- 296.93796 160.7
[M+CH3COO]- 310.95361 191.9
[M+Na-2H]- 272.91443 146.5
[M]+ 251.93921 157.9
[M]- 251.94031 157.9
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