CID 72212734

5-bromo-3,4-dihydro-2h-1-benzopyran-3-amine hydrochloride

Structural Information

Molecular Formula
C9H10BrNO
SMILES
C1C(COC2=C1C(=CC=C2)Br)N
InChI
InChI=1S/C9H10BrNO/c10-8-2-1-3-9-7(8)4-6(11)5-12-9/h1-3,6H,4-5,11H2
InChIKey
CITAWZRLKKMLNK-UHFFFAOYSA-N
Compound name
5-bromo-3,4-dihydro-2H-chromen-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

226.99458 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.00186 142.0
[M+Na]+ 249.98380 152.7
[M-H]- 225.98730 149.1
[M+NH4]+ 245.02840 163.1
[M+K]+ 265.95774 142.6
[M+H-H2O]+ 209.99184 141.9
[M+HCOO]- 271.99278 160.8
[M+CH3COO]- 286.00843 156.8
[M+Na-2H]- 247.96925 150.7
[M]+ 226.99403 157.7
[M]- 226.99513 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.