CID 79014221

1568070-60-9

Structural Information

Molecular Formula
C9H9BrO2
SMILES
C1COC2=C([C@H]1O)C=CC=C2Br
InChI
InChI=1S/C9H9BrO2/c10-7-3-1-2-6-8(11)4-5-12-9(6)7/h1-3,8,11H,4-5H2/t8-/m0/s1
InChIKey
VAORXMXHTGIUFI-QMMMGPOBSA-N
Compound name
(4S)-8-bromo-3,4-dihydro-2H-chromen-4-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]+ 228.985866 140.7
[M+Na]+ 250.967808 151.7
[M-H]- 226.971314 147.2
[M+NH4]+ 246.012413 161.7
[M+K]+ 266.941748 142.1
[M+H-H2O]+ 210.975850 141.5
[M+HCOO]- 272.976791 158.0
[M+CH3COO]- 286.992441 183.6
[M+Na-2H]- 248.953256 149.8
[M]+ 227.97804142 157.7
[M]- 227.97913858 157.7
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.