CID 43445801

3-(4-bromo-2-fluorophenyl)propan-1-amine

Structural Information

Molecular Formula
C9H11BrFN
SMILES
C1=CC(=C(C=C1Br)F)CCCN
InChI
InChI=1S/C9H11BrFN/c10-8-4-3-7(2-1-5-12)9(11)6-8/h3-4,6H,1-2,5,12H2
InChIKey
CPANZKFIPNQBFM-UHFFFAOYSA-N
Compound name
3-(4-bromo-2-fluorophenyl)propan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

231.00589 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.013166 143.0
[M+Na]+ 253.995108 154.5
[M-H]- 229.998614 147.7
[M+NH4]+ 249.039713 164.4
[M+K]+ 269.969048 142.3
[M+H-H2O]+ 214.003150 141.9
[M+HCOO]- 276.004091 164.2
[M+CH3COO]- 290.019741 190.5
[M+Na-2H]- 251.980556 149.2
[M]+ 231.00534142 159.3
[M]- 231.00643858 159.3
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.