CID 146049163

(3z)-3-(bromomethylidene)oxolane

Structural Information

Molecular Formula
C5H7BrO
SMILES
C\1COC/C1=C\Br
InChI
InChI=1S/C5H7BrO/c6-3-5-1-2-7-4-5/h3H,1-2,4H2/b5-3-
InChIKey
MMILCUFJGCPUID-HYXAFXHYSA-N
Compound name
(3Z)-3-(bromomethylidene)oxolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

161.96803 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 162.97531 128.7
[M+Na]+ 184.95725 139.6
[M-H]- 160.96075 135.3
[M+NH4]+ 180.00185 153.3
[M+K]+ 200.93119 131.1
[M+H-H2O]+ 144.96529 130.0
[M+HCOO]- 206.96623 149.5
[M+CH3COO]- 220.98188 171.9
[M+Na-2H]- 182.94270 136.5
[M]+ 161.96748 144.9
[M]- 161.96858 144.9
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.