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]+ 230.981536 138.4
[M+Na]+ 252.963478 153.2
[M-H]- 228.966984 148.7
[M+NH4]+ 248.008083 156.6
[M+K]+ 268.937418 144.2
[M+H-H2O]+ 212.971520 138.2
[M+HCOO]- 274.972461 159.0
[M+CH3COO]- 288.988111 189.6
[M+Na-2H]- 250.948926 147.9
[M]+ 229.97371142 159.4
[M]- 229.97480858 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.