CID 92133578

2361644-43-9

Structural Information

Molecular Formula
C8H9BrFN
SMILES
CC1=CC(=CC(=C1CN)F)Br
InChI
InChI=1S/C8H9BrFN/c1-5-2-6(9)3-8(10)7(5)4-11/h2-3H,4,11H2,1H3
InChIKey
WIIIKZGUDLDAIE-UHFFFAOYSA-N
Compound name
(4-bromo-2-fluoro-6-methylphenyl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

216.99023 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.997506 137.9
[M+Na]+ 239.979448 150.7
[M-H]- 215.982954 143.2
[M+NH4]+ 235.024053 160.2
[M+K]+ 255.953388 138.8
[M+H-H2O]+ 199.987490 137.2
[M+HCOO]- 261.988431 159.4
[M+CH3COO]- 276.004081 188.7
[M+Na-2H]- 237.964896 144.0
[M]+ 216.98968142 154.2
[M]- 216.99077858 154.2
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