CID 22736080

2'-bromo-5'-fluoroacetophenone

Structural Information

Molecular Formula
C8H6BrFO
SMILES
CC(=O)C1=C(C=CC(=C1)F)Br
InChI
InChI=1S/C8H6BrFO/c1-5(11)7-4-6(10)2-3-8(7)9/h2-4H,1H3
InChIKey
BQXROZQUDCJBBY-UHFFFAOYSA-N
Compound name
1-(2-bromo-5-fluorophenyl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

129
Patents

215.9586 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.96588 136.9
[M+Na]+ 238.94782 140.6
[M+NH4]+ 233.99242 141.7
[M+K]+ 254.92176 140.3
[M-H]- 214.95132 136.5
[M+Na-2H]- 236.93327 140.4
[M]+ 215.95805 136.1
[M]- 215.95915 136.1
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