CID 22736080

1006-33-3

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

151
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 134.8
[M+Na]+ 238.94782 147.6
[M-H]- 214.95132 140.5
[M+NH4]+ 233.99242 157.3
[M+K]+ 254.92176 136.8
[M+H-H2O]+ 198.95586 134.7
[M+HCOO]- 260.95680 155.6
[M+CH3COO]- 274.97245 185.6
[M+Na-2H]- 236.93327 141.3
[M]+ 215.95805 152.6
[M]- 215.95915 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