CID 358616

1-(2-bromophenyl)-2,2,2-trifluoroethanone

Structural Information

Molecular Formula
C8H4BrF3O
SMILES
C1=CC=C(C(=C1)C(=O)C(F)(F)F)Br
InChI
InChI=1S/C8H4BrF3O/c9-6-4-2-1-3-5(6)7(13)8(10,11)12/h1-4H
InChIKey
VNAWTGXXPNWISR-UHFFFAOYSA-N
Compound name
1-(2-bromophenyl)-2,2,2-trifluoroethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

33
Patents

251.93976 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.94704 152.5
[M+Na]+ 274.92898 153.9
[M+NH4]+ 269.97358 155.3
[M+K]+ 290.90292 153.9
[M-H]- 250.93248 148.8
[M+Na-2H]- 272.91443 153.9
[M]+ 251.93921 150.4
[M]- 251.94031 150.4
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