CID 11126564

4-bromo-2-methylfuran

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

1
References

92
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 124.1
[M+Na]+ 182.94160 137.5
[M-H]- 158.94510 131.7
[M+NH4]+ 177.98620 149.3
[M+K]+ 198.91554 129.2
[M+H-H2O]+ 142.94964 125.6
[M+HCOO]- 204.95058 147.5
[M+CH3COO]- 218.96623 173.7
[M+Na-2H]- 180.92705 133.4
[M]+ 159.95183 144.1
[M]- 159.95293 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