CID 65719735

5-bromo-7-chloro-2,3-dihydro-1-benzofuran-3-ol

Structural Information

Molecular Formula
C8H6BrClO2
SMILES
C1C(C2=C(O1)C(=CC(=C2)Br)Cl)O
InChI
InChI=1S/C8H6BrClO2/c9-4-1-5-7(11)3-12-8(5)6(10)2-4/h1-2,7,11H,3H2
InChIKey
IZOMKZHYRTXLCP-UHFFFAOYSA-N
Compound name
5-bromo-7-chloro-2,3-dihydro-1-benzofuran-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

247.92397 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.931246 144.4
[M+Na]+ 270.913188 158.9
[M-H]- 246.916694 151.6
[M+NH4]+ 265.957793 167.7
[M+K]+ 286.887128 147.3
[M+H-H2O]+ 230.921230 146.8
[M+HCOO]- 292.922171 159.7
[M+CH3COO]- 306.937821 160.4
[M+Na-2H]- 268.898636 151.5
[M]+ 247.92342142 165.2
[M]- 247.92451858 165.2
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.