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 143.0
[M+Na]+ 250.96781 156.1
[M-H]- 226.97131 150.2
[M+NH4]+ 246.01241 166.2
[M+K]+ 266.94175 146.2
[M+H-H2O]+ 210.97585 144.5
[M+HCOO]- 272.97679 162.4
[M+CH3COO]- 286.99244 184.3
[M+Na-2H]- 248.95326 149.9
[M]+ 227.97804 162.3
[M]- 227.97914 162.3
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.