CID 58764180

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

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

53
Patents

231.00589 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.013166 144.1
[M+Na]+ 253.995108 155.9
[M-H]- 229.998614 149.0
[M+NH4]+ 249.039713 165.6
[M+K]+ 269.969048 144.1
[M+H-H2O]+ 214.003150 143.5
[M+HCOO]- 276.004091 163.7
[M+CH3COO]- 290.019741 190.8
[M+Na-2H]- 251.980556 150.7
[M]+ 231.00534142 159.8
[M]- 231.00643858 159.8
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