CID 117310454

2413878-47-2

Structural Information

Molecular Formula
C8H9BrFN
SMILES
CC1=C(C=CC(=C1F)CN)Br
InChI
InChI=1S/C8H9BrFN/c1-5-7(9)3-2-6(4-11)8(5)10/h2-3H,4,11H2,1H3
InChIKey
GBDUZJYEHHQVKL-UHFFFAOYSA-N
Compound name
(4-bromo-2-fluoro-3-methylphenyl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

216.99023 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.99751 137.9
[M+Na]+ 239.97945 150.7
[M-H]- 215.98295 143.2
[M+NH4]+ 235.02405 160.2
[M+K]+ 255.95339 138.8
[M+H-H2O]+ 199.98749 137.2
[M+HCOO]- 261.98843 159.4
[M+CH3COO]- 276.00408 188.7
[M+Na-2H]- 237.96490 144.0
[M]+ 216.98968 154.2
[M]- 216.99078 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

No patent data available for this compound.