CID 11094934

3-(bromomethyl)furan

Structural Information

Molecular Formula
C5H5BrO
SMILES
C1=COC=C1CBr
InChI
InChI=1S/C5H5BrO/c6-3-5-1-2-7-4-5/h1-2,4H,3H2
InChIKey
HOEQXFUBJFGJKA-UHFFFAOYSA-N
Compound name
3-(bromomethyl)furan
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

204
Patents

159.95238 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 160.959656 124.9
[M+Na]+ 182.941598 137.4
[M-H]- 158.945104 132.1
[M+NH4]+ 177.986203 149.8
[M+K]+ 198.915538 129.1
[M+H-H2O]+ 142.949640 126.2
[M+HCOO]- 204.950581 148.3
[M+CH3COO]- 218.966231 172.7
[M+Na-2H]- 180.927046 134.7
[M]+ 159.95183142 144.6
[M]- 159.95292858 144.6
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