CID 64083679

[(2,5-dibromophenyl)methyl](methyl)amine hydrochloride

Structural Information

Molecular Formula
C8H9Br2N
SMILES
CNCC1=C(C=CC(=C1)Br)Br
InChI
InChI=1S/C8H9Br2N/c1-11-5-6-4-7(9)2-3-8(6)10/h2-4,11H,5H2,1H3
InChIKey
IMIZICNONSPHFP-UHFFFAOYSA-N
Compound name
1-(2,5-dibromophenyl)-N-methylmethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

276.91016 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.91744 137.9
[M+Na]+ 299.89938 148.6
[M-H]- 275.90288 144.6
[M+NH4]+ 294.94398 157.6
[M+K]+ 315.87332 132.6
[M+H-H2O]+ 259.90742 145.2
[M+HCOO]- 321.90836 155.2
[M+CH3COO]- 335.92401 203.0
[M+Na-2H]- 297.88483 145.7
[M]+ 276.90961 171.2
[M]- 276.91071 171.2
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