CID 641484

3-bromo-2-methylfuran

Structural Information

Molecular Formula
C5H5BrO
SMILES
CC1=C(C=CO1)Br
InChI
InChI=1S/C5H5BrO/c1-4-5(6)2-3-7-4/h2-3H,1H3
InChIKey
VRMMZSVAKYRZAB-UHFFFAOYSA-N
Compound name
3-bromo-2-methylfuran
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

68
Patents

159.95238 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 160.959656 124.1
[M+Na]+ 182.941598 137.5
[M-H]- 158.945104 131.7
[M+NH4]+ 177.986203 149.3
[M+K]+ 198.915538 129.2
[M+H-H2O]+ 142.949640 125.6
[M+HCOO]- 204.950581 147.5
[M+CH3COO]- 218.966231 173.7
[M+Na-2H]- 180.927046 133.4
[M]+ 159.95183142 144.1
[M]- 159.95292858 144.1
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