CID 65815109

1-(3-bromo-5-fluorophenyl)-2-cyclopropylethan-1-amine

Structural Information

Molecular Formula
C11H13BrFN
SMILES
C1CC1CC(C2=CC(=CC(=C2)Br)F)N
InChI
InChI=1S/C11H13BrFN/c12-9-4-8(5-10(13)6-9)11(14)3-7-1-2-7/h4-7,11H,1-3,14H2
InChIKey
FHPSYBNVOWYHSZ-UHFFFAOYSA-N
Compound name
1-(3-bromo-5-fluorophenyl)-2-cyclopropylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

257.02155 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.02883 147.0
[M+Na]+ 280.01077 159.2
[M-H]- 256.01427 155.3
[M+NH4]+ 275.05537 162.8
[M+K]+ 295.98471 146.6
[M+H-H2O]+ 240.01881 145.1
[M+HCOO]- 302.01975 167.5
[M+CH3COO]- 316.03540 198.1
[M+Na-2H]- 277.99622 151.8
[M]+ 257.02100 163.9
[M]- 257.02210 163.9
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