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

41
Patents

159.95238 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 160.95966 126.0
[M+Na]+ 182.94160 129.5
[M+NH4]+ 177.98620 131.9
[M+K]+ 198.91554 131.2
[M-H]- 158.94510 127.7
[M+Na-2H]- 180.92705 129.3
[M]+ 159.95183 125.8
[M]- 159.95293 125.8
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