CID 100414

2-(2-bromoethyl)oxirane

Structural Information

Molecular Formula
C4H7BrO
SMILES
C1C(O1)CCBr
InChI
InChI=1S/C4H7BrO/c5-2-1-4-3-6-4/h4H,1-3H2
InChIKey
ZKODPGZNBMIZFX-UHFFFAOYSA-N
Compound name
2-(2-bromoethyl)oxirane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

964
Patents

149.96803 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 150.97531 124.3
[M+Na]+ 172.95725 137.8
[M-H]- 148.96075 132.5
[M+NH4]+ 168.00185 143.4
[M+K]+ 188.93119 129.2
[M+H-H2O]+ 132.96529 124.2
[M+HCOO]- 194.96623 145.9
[M+CH3COO]- 208.98188 176.5
[M+Na-2H]- 170.94270 134.8
[M]+ 149.96748 145.5
[M]- 149.96858 145.5
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

patents stripe