CID 15093028

1-(2-bromophenyl)-2-fluoroethanone

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
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

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