CID 14173422

3-(bromomethyl)tetrahydrofuran

Structural Information

Molecular Formula
C5H9BrO
SMILES
C1COCC1CBr
InChI
InChI=1S/C5H9BrO/c6-3-5-1-2-7-4-5/h5H,1-4H2
InChIKey
AXQYVOIYCYAVSW-UHFFFAOYSA-N
Compound name
3-(bromomethyl)oxolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

535
Patents

163.98367 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 164.99095 131.1
[M+Na]+ 186.97289 132.6
[M+NH4]+ 182.01749 136.7
[M+K]+ 202.94683 134.3
[M-H]- 162.97639 132.3
[M+Na-2H]- 184.95834 132.7
[M]+ 163.98312 130.3
[M]- 163.98422 130.3
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

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