CID 58212797

1-bromo-3-(2,4-difluorophenyl)propan-2-one

Structural Information

Molecular Formula
C9H7BrF2O
SMILES
C1=CC(=C(C=C1F)F)CC(=O)CBr
InChI
InChI=1S/C9H7BrF2O/c10-5-8(13)3-6-1-2-7(11)4-9(6)12/h1-2,4H,3,5H2
InChIKey
MFCJMMWQBNHTOL-UHFFFAOYSA-N
Compound name
1-bromo-3-(2,4-difluorophenyl)propan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

247.96483 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.97211 143.7
[M+Na]+ 270.95405 156.1
[M-H]- 246.95755 147.8
[M+NH4]+ 265.99865 164.8
[M+K]+ 286.92799 144.6
[M+H-H2O]+ 230.96209 142.4
[M+HCOO]- 292.96303 163.1
[M+CH3COO]- 306.97868 191.0
[M+Na-2H]- 268.93950 148.9
[M]+ 247.96428 160.7
[M]- 247.96538 160.7
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