CID 58764180

2-(4-bromo-2-fluorophenyl)propan-2-amine

Structural Information

Molecular Formula
C9H11BrFN
SMILES
CC(C)(C1=C(C=C(C=C1)Br)F)N
InChI
InChI=1S/C9H11BrFN/c1-9(2,12)7-4-3-6(10)5-8(7)11/h3-5H,12H2,1-2H3
InChIKey
PZUNZGPBEAFOAG-UHFFFAOYSA-N
Compound name
2-(4-bromo-2-fluorophenyl)propan-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

59
Patents

231.00589 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.01317 145.0
[M+Na]+ 253.99511 147.5
[M+NH4]+ 249.03971 149.7
[M+K]+ 269.96905 147.5
[M-H]- 229.99861 144.9
[M+Na-2H]- 251.98056 148.1
[M]+ 231.00534 144.2
[M]- 231.00644 144.2
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