CID 53256630

[(2-bromo-6-fluorophenyl)methyl](methyl)amine hydrochloride

Structural Information

Molecular Formula
C8H9BrFN
SMILES
CNCC1=C(C=CC=C1Br)F
InChI
InChI=1S/C8H9BrFN/c1-11-5-6-7(9)3-2-4-8(6)10/h2-4,11H,5H2,1H3
InChIKey
ARXBGWZIMPUEOZ-UHFFFAOYSA-N
Compound name
1-(2-bromo-6-fluorophenyl)-N-methylmethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

216.99023 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.997506 137.4
[M+Na]+ 239.979448 149.3
[M-H]- 215.982954 142.7
[M+NH4]+ 235.024053 159.6
[M+K]+ 255.953388 137.8
[M+H-H2O]+ 199.987490 136.5
[M+HCOO]- 261.988431 159.5
[M+CH3COO]- 276.004081 188.3
[M+Na-2H]- 237.964896 145.2
[M]+ 216.98968142 154.3
[M]- 216.99077858 154.3
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

patents stripe