CID 2783189

2-bromo-1-(3-fluoro-4-methylphenyl)ethan-1-one

Structural Information

Molecular Formula
C9H8BrFO
SMILES
CC1=C(C=C(C=C1)C(=O)CBr)F
InChI
InChI=1S/C9H8BrFO/c1-6-2-3-7(4-8(6)11)9(12)5-10/h2-4H,5H2,1H3
InChIKey
GWKPUJFMTNFANT-UHFFFAOYSA-N
Compound name
2-bromo-1-(3-fluoro-4-methylphenyl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

42
Patents

229.97426 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.98154 139.6
[M+Na]+ 252.96348 152.0
[M-H]- 228.96698 145.1
[M+NH4]+ 248.00808 161.5
[M+K]+ 268.93742 141.0
[M+H-H2O]+ 212.97152 139.3
[M+HCOO]- 274.97246 160.0
[M+CH3COO]- 288.98811 188.5
[M+Na-2H]- 250.94893 145.6
[M]+ 229.97371 157.7
[M]- 229.97481 157.7
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