CID 122233581

(4r)-7-bromo-4-methoxy-3,4-dihydro-1h-2-benzopyran

Structural Information

Molecular Formula
C10H11BrO2
SMILES
CO[C@H]1COCC2=C1C=CC(=C2)Br
InChI
InChI=1S/C10H11BrO2/c1-12-10-6-13-5-7-4-8(11)2-3-9(7)10/h2-4,10H,5-6H2,1H3/t10-/m0/s1
InChIKey
LIJZSYORKBDVGD-JTQLQIEISA-N
Compound name
(4R)-7-bromo-4-methoxy-3,4-dihydro-1H-isochromene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

241.99425 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.00153 144.6
[M+Na]+ 264.98347 155.6
[M-H]- 240.98697 152.2
[M+NH4]+ 260.02807 165.7
[M+K]+ 280.95741 146.7
[M+H-H2O]+ 224.99151 144.9
[M+HCOO]- 286.99245 162.9
[M+CH3COO]- 301.00810 188.8
[M+Na-2H]- 262.96892 153.6
[M]+ 241.99370 163.6
[M]- 241.99480 163.6
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.