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]+ 232.01317 143.0
[M+Na]+ 253.99511 154.5
[M-H]- 229.99861 147.7
[M+NH4]+ 249.03971 164.4
[M+K]+ 269.96905 142.3
[M+H-H2O]+ 214.00315 141.9
[M+HCOO]- 276.00409 164.2
[M+CH3COO]- 290.01974 190.5
[M+Na-2H]- 251.98056 149.2
[M]+ 231.00534 159.3
[M]- 231.00644 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.