CID 122237020

3-bromo-2,4-difluorophenacyl bromide

Structural Information

Molecular Formula
C8H4Br2F2O
SMILES
C1=CC(=C(C(=C1C(=O)CBr)F)Br)F
InChI
InChI=1S/C8H4Br2F2O/c9-3-6(13)4-1-2-5(11)7(10)8(4)12/h1-2H,3H2
InChIKey
READNKONIKOFDY-UHFFFAOYSA-N
Compound name
2-bromo-1-(3-bromo-2,4-difluorophenyl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

311.8597 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 312.86698 143.6
[M+Na]+ 334.84892 155.8
[M-H]- 310.85242 148.8
[M+NH4]+ 329.89352 162.6
[M+K]+ 350.82286 139.9
[M+H-H2O]+ 294.85696 150.5
[M+HCOO]- 356.85790 158.2
[M+CH3COO]- 370.87355 205.9
[M+Na-2H]- 332.83437 148.6
[M]+ 311.85915 176.0
[M]- 311.86025 176.0
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

No patent data available for this compound.