CID 12211101

2-(1-bromoethyl)oxirane

Structural Information

Molecular Formula
C4H7BrO
SMILES
CC(C1CO1)Br
InChI
InChI=1S/C4H7BrO/c1-3(5)4-2-6-4/h3-4H,2H2,1H3
InChIKey
YXGBQJQAKULVEL-UHFFFAOYSA-N
Compound name
2-(1-bromoethyl)oxirane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

462
Patents

149.96803 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 150.97531 124.5
[M+Na]+ 172.95725 137.7
[M-H]- 148.96075 132.7
[M+NH4]+ 168.00185 143.5
[M+K]+ 188.93119 129.4
[M+H-H2O]+ 132.96529 124.4
[M+HCOO]- 194.96623 145.2
[M+CH3COO]- 208.98188 177.2
[M+Na-2H]- 170.94270 133.8
[M]+ 149.96748 145.0
[M]- 149.96858 145.0
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