CID 155858895

2580252-59-9

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 154.7
[M+Na]+ 296.00567 157.3
[M+NH4]+ 291.05027 159.7
[M+K]+ 311.97961 156.5
[M-H]- 272.00917 156.4
[M+Na-2H]- 293.99112 156.0
[M]+ 273.01590 154.3
[M]- 273.01700 154.3
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.