CID 138040081

3-(bromomethylidene)oxetane

Structural Information

Molecular Formula
C4H5BrO
SMILES
C1C(=CBr)CO1
InChI
InChI=1S/C4H5BrO/c5-1-4-2-6-3-4/h1H,2-3H2
InChIKey
LAUABHURZPBTTQ-UHFFFAOYSA-N
Compound name
3-(bromomethylidene)oxetane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

147.95238 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 148.959656 109.9
[M+Na]+ 170.941598 120.2
[M-H]- 146.945104 116.9
[M+NH4]+ 165.986203 127.5
[M+K]+ 186.915538 115.0
[M+H-H2O]+ 130.949640 106.9
[M+HCOO]- 192.950581 130.2
[M+CH3COO]- 206.966231 174.5
[M+Na-2H]- 168.927046 120.8
[M]+ 147.95183142 135.1
[M]- 147.95292858 135.1
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.