CID 22101036

1-(3-bromophenyl)-2-fluoroethan-1-one

Structural Information

Molecular Formula
C8H6BrFO
SMILES
C1=CC(=CC(=C1)Br)C(=O)CF
InChI
InChI=1S/C8H6BrFO/c9-7-3-1-2-6(4-7)8(11)5-10/h1-4H,5H2
InChIKey
DJJUHIWEAHUSHT-UHFFFAOYSA-N
Compound name
1-(3-bromophenyl)-2-fluoroethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

58
Patents

215.9586 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.96588 137.3
[M+Na]+ 238.94782 140.7
[M+NH4]+ 233.99242 142.1
[M+K]+ 254.92176 140.3
[M-H]- 214.95132 136.9
[M+Na-2H]- 236.93327 141.0
[M]+ 215.95805 136.4
[M]- 215.95915 136.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe