CID 67452154

1-(3,5-dibromophenyl)-2,2,2-trifluoroethanone

Structural Information

Molecular Formula
C8H3Br2F3O
SMILES
C1=C(C=C(C=C1Br)Br)C(=O)C(F)(F)F
InChI
InChI=1S/C8H3Br2F3O/c9-5-1-4(2-6(10)3-5)7(14)8(11,12)13/h1-3H
InChIKey
ZNBTWCALOYMPHK-UHFFFAOYSA-N
Compound name
1-(3,5-dibromophenyl)-2,2,2-trifluoroethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

25
Patents

329.85028 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 330.85756 152.0
[M+Na]+ 352.83950 163.8
[M-H]- 328.84300 156.1
[M+NH4]+ 347.88410 170.1
[M+K]+ 368.81344 147.8
[M+H-H2O]+ 312.84754 158.3
[M+HCOO]- 374.84848 164.5
[M+CH3COO]- 388.86413 206.9
[M+Na-2H]- 350.82495 156.9
[M]+ 329.84973 182.6
[M]- 329.85083 182.6
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