CID 66570680

1-(2-bromo-6-fluorophenyl)ethanone

Structural Information

Molecular Formula
C8H6BrFO
SMILES
CC(=O)C1=C(C=CC=C1Br)F
InChI
InChI=1S/C8H6BrFO/c1-5(11)8-6(9)3-2-4-7(8)10/h2-4H,1H3
InChIKey
ZTLLHQUYOLPVAR-UHFFFAOYSA-N
Compound name
1-(2-bromo-6-fluorophenyl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

37
Patents

215.9586 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.965876 134.8
[M+Na]+ 238.947818 147.6
[M-H]- 214.951324 140.5
[M+NH4]+ 233.992423 157.3
[M+K]+ 254.921758 136.8
[M+H-H2O]+ 198.955860 134.7
[M+HCOO]- 260.956801 155.6
[M+CH3COO]- 274.972451 185.6
[M+Na-2H]- 236.933266 141.3
[M]+ 215.95805142 152.6
[M]- 215.95914858 152.6
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