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]+ 148.95966 109.9
[M+Na]+ 170.94160 120.2
[M-H]- 146.94510 116.9
[M+NH4]+ 165.98620 127.5
[M+K]+ 186.91554 115.0
[M+H-H2O]+ 130.94964 106.9
[M+HCOO]- 192.95058 130.2
[M+CH3COO]- 206.96623 174.5
[M+Na-2H]- 168.92705 120.8
[M]+ 147.95183 135.1
[M]- 147.95293 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.