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]+ 248.93125 144.4
[M+Na]+ 270.91319 158.9
[M-H]- 246.91669 151.6
[M+NH4]+ 265.95779 167.7
[M+K]+ 286.88713 147.3
[M+H-H2O]+ 230.92123 146.8
[M+HCOO]- 292.92217 159.7
[M+CH3COO]- 306.93782 160.4
[M+Na-2H]- 268.89864 151.5
[M]+ 247.92342 165.2
[M]- 247.92452 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.