CID 130770947

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

Structural Information

Molecular Formula
C9H10BrNO
SMILES
C1[C@@H](C2=C(CO1)C=C(C=C2)Br)N
InChI
InChI=1S/C9H10BrNO/c10-7-1-2-8-6(3-7)4-12-5-9(8)11/h1-3,9H,4-5,11H2/t9-/m0/s1
InChIKey
HJPMNNHTDAZRAD-VIFPVBQESA-N
Compound name
(4R)-7-bromo-3,4-dihydro-1H-isochromen-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

226.99458 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.00186 139.2
[M+Na]+ 249.98380 142.8
[M+NH4]+ 245.02840 145.3
[M+K]+ 265.95774 142.6
[M-H]- 225.98730 142.4
[M+Na-2H]- 247.96925 142.3
[M]+ 226.99403 139.5
[M]- 226.99513 139.5
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

patents stripe