CID 98774243

5-bromo-3-methylfuran-2-ol

Structural Information

Molecular Formula
C5H5BrO2
SMILES
CC1=C(OC(=C1)Br)O
InChI
InChI=1S/C5H5BrO2/c1-3-2-4(6)8-5(3)7/h2,7H,1H3
InChIKey
VRCQCFHVFPEODR-UHFFFAOYSA-N
Compound name
5-bromo-3-methylfuran-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

175.9473 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.954576 127.3
[M+Na]+ 198.936518 140.9
[M-H]- 174.940024 133.9
[M+NH4]+ 193.981123 151.4
[M+K]+ 214.910458 132.0
[M+H-H2O]+ 158.944560 128.8
[M+HCOO]- 220.945501 149.4
[M+CH3COO]- 234.961151 174.1
[M+Na-2H]- 196.921966 135.4
[M]+ 175.94675142 147.2
[M]- 175.94784858 147.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.