CID 155858895

2-(7-bromo-5-fluoro-3,4-dihydro-2h-1-benzopyran-6-yl)ethan-1-amine hydrochloride

Structural Information

Molecular Formula
C11H13BrFNO
SMILES
C1CC2=C(C(=C(C=C2OC1)Br)CCN)F
InChI
InChI=1S/C11H13BrFNO/c12-9-6-10-8(2-1-5-15-10)11(13)7(9)3-4-14/h6H,1-5,14H2
InChIKey
PVJQWZXIRKRQAS-UHFFFAOYSA-N
Compound name
2-(7-bromo-5-fluoro-3,4-dihydro-2H-chromen-6-yl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

273.01645 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.023726 155.8
[M+Na]+ 296.005668 166.4
[M-H]- 272.009174 161.4
[M+NH4]+ 291.050273 175.2
[M+K]+ 311.979608 155.4
[M+H-H2O]+ 256.013710 154.4
[M+HCOO]- 318.014651 172.7
[M+CH3COO]- 332.030301 197.3
[M+Na-2H]- 293.991116 161.8
[M]+ 273.01590142 171.3
[M]- 273.01699858 171.3
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.