CID 147193

2-(3-bromophenyl)oxirane

Structural Information

Molecular Formula
C8H7BrO
SMILES
C1C(O1)C2=CC(=CC=C2)Br
InChI
InChI=1S/C8H7BrO/c9-7-3-1-2-6(4-7)8-5-10-8/h1-4,8H,5H2
InChIKey
YUPLJNGZNHMXGM-UHFFFAOYSA-N
Compound name
2-(3-bromophenyl)oxirane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

65
Patents

197.96803 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.97531 132.8
[M+Na]+ 220.95725 146.7
[M-H]- 196.96075 143.9
[M+NH4]+ 216.00185 150.2
[M+K]+ 236.93119 137.5
[M+H-H2O]+ 180.96529 132.6
[M+HCOO]- 242.96623 155.1
[M+CH3COO]- 256.98188 184.0
[M+Na-2H]- 218.94270 143.1
[M]+ 197.96748 153.6
[M]- 197.96858 153.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

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