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]+ 228.98587 140.7
[M+Na]+ 250.96781 151.7
[M-H]- 226.97131 147.2
[M+NH4]+ 246.01241 161.7
[M+K]+ 266.94175 142.1
[M+H-H2O]+ 210.97585 141.5
[M+HCOO]- 272.97679 158.0
[M+CH3COO]- 286.99244 183.6
[M+Na-2H]- 248.95326 149.8
[M]+ 227.97804 157.7
[M]- 227.97914 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.