CID 20114667

1-(5-bromo-2-fluorophenyl)propan-2-amine

Structural Information

Molecular Formula
C9H11BrFN
SMILES
CC(CC1=C(C=CC(=C1)Br)F)N
InChI
InChI=1S/C9H11BrFN/c1-6(12)4-7-5-8(10)2-3-9(7)11/h2-3,5-6H,4,12H2,1H3
InChIKey
GWXIGTGDZHMEFQ-UHFFFAOYSA-N
Compound name
1-(5-bromo-2-fluorophenyl)propan-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

231.00589 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.01317 143.9
[M+Na]+ 253.99511 155.0
[M-H]- 229.99861 148.6
[M+NH4]+ 249.03971 165.2
[M+K]+ 269.96905 143.3
[M+H-H2O]+ 214.00315 142.7
[M+HCOO]- 276.00409 164.1
[M+CH3COO]- 290.01974 191.3
[M+Na-2H]- 251.98056 148.7
[M]+ 231.00534 159.5
[M]- 231.00644 159.5
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.