CID 82973588

2-(4-bromo-2-fluorophenyl)-2-methyloxirane

Structural Information

Molecular Formula
C9H8BrFO
SMILES
CC1(CO1)C2=C(C=C(C=C2)Br)F
InChI
InChI=1S/C9H8BrFO/c1-9(5-12-9)7-3-2-6(10)4-8(7)11/h2-4H,5H2,1H3
InChIKey
UGYYDBPQIHIIGY-UHFFFAOYSA-N
Compound name
2-(4-bromo-2-fluorophenyl)-2-methyloxirane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

229.97426 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.98154 138.4
[M+Na]+ 252.96348 153.2
[M-H]- 228.96698 148.7
[M+NH4]+ 248.00808 156.6
[M+K]+ 268.93742 144.2
[M+H-H2O]+ 212.97152 138.2
[M+HCOO]- 274.97246 159.0
[M+CH3COO]- 288.98811 189.6
[M+Na-2H]- 250.94893 147.9
[M]+ 229.97371 159.4
[M]- 229.97481 159.4
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

No patent data available for this compound.