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]+ 274.02373 155.8
[M+Na]+ 296.00567 166.4
[M-H]- 272.00917 161.4
[M+NH4]+ 291.05027 175.2
[M+K]+ 311.97961 155.4
[M+H-H2O]+ 256.01371 154.4
[M+HCOO]- 318.01465 172.7
[M+CH3COO]- 332.03030 197.3
[M+Na-2H]- 293.99112 161.8
[M]+ 273.01590 171.3
[M]- 273.01700 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.