CID 43090177

1-(4-bromo-2-fluorophenyl)-n-methylmethanamine

Structural Information

Molecular Formula
C8H9BrFN
SMILES
CNCC1=C(C=C(C=C1)Br)F
InChI
InChI=1S/C8H9BrFN/c1-11-5-6-2-3-7(9)4-8(6)10/h2-4,11H,5H2,1H3
InChIKey
KTZKPKRLQCZXOX-UHFFFAOYSA-N
Compound name
1-(4-bromo-2-fluorophenyl)-N-methylmethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

19
Patents

216.99023 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.99751 137.4
[M+Na]+ 239.97945 149.3
[M-H]- 215.98295 142.7
[M+NH4]+ 235.02405 159.6
[M+K]+ 255.95339 137.8
[M+H-H2O]+ 199.98749 136.5
[M+HCOO]- 261.98843 159.5
[M+CH3COO]- 276.00408 188.3
[M+Na-2H]- 237.96490 145.2
[M]+ 216.98968 154.3
[M]- 216.99078 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