CID 82050203

2-(2,5-dibromophenyl)ethan-1-amine

Structural Information

Molecular Formula
C8H9Br2N
SMILES
C1=CC(=C(C=C1Br)CCN)Br
InChI
InChI=1S/C8H9Br2N/c9-7-1-2-8(10)6(5-7)3-4-11/h1-2,5H,3-4,11H2
InChIKey
BJWMXULBNPTTOW-UHFFFAOYSA-N
Compound name
2-(2,5-dibromophenyl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

276.91016 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.91744 139.1
[M+Na]+ 299.89938 149.8
[M-H]- 275.90288 145.5
[M+NH4]+ 294.94398 158.6
[M+K]+ 315.87332 133.5
[M+H-H2O]+ 259.90742 146.4
[M+HCOO]- 321.90836 156.0
[M+CH3COO]- 335.92401 202.5
[M+Na-2H]- 297.88483 146.0
[M]+ 276.90961 171.6
[M]- 276.91071 171.6
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