CID 65719557

1491101-20-2

Structural Information

Molecular Formula
C9H9BrO2
SMILES
CC1=CC2=C(C(=C1)Br)OCC2O
InChI
InChI=1S/C9H9BrO2/c1-5-2-6-8(11)4-12-9(6)7(10)3-5/h2-3,8,11H,4H2,1H3
InChIKey
ZUAGOJVQIMCGHK-UHFFFAOYSA-N
Compound name
7-bromo-5-methyl-2,3-dihydro-1-benzofuran-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

227.97859 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.98587 142.4
[M+Na]+ 250.96781 145.8
[M+NH4]+ 246.01241 148.0
[M+K]+ 266.94175 147.5
[M-H]- 226.97131 144.0
[M+Na-2H]- 248.95326 143.8
[M]+ 227.97804 142.2
[M]- 227.97914 142.2
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.