CID 40465610

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

Structural Information

Molecular Formula
C8H9Br2N
SMILES
C[C@@H](C1=C(C=CC(=C1)Br)Br)N
InChI
InChI=1S/C8H9Br2N/c1-5(11)7-4-6(9)2-3-8(7)10/h2-5H,11H2,1H3/t5-/m0/s1
InChIKey
VWIJODSEAQBYNY-YFKPBYRVSA-N
Compound name
(1S)-1-(2,5-dibromophenyl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
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 140.6
[M+Na]+ 299.89938 150.9
[M-H]- 275.90288 147.0
[M+NH4]+ 294.94398 159.9
[M+K]+ 315.87332 135.0
[M+H-H2O]+ 259.90742 147.8
[M+HCOO]- 321.90836 156.6
[M+CH3COO]- 335.92401 203.2
[M+Na-2H]- 297.88483 146.3
[M]+ 276.90961 172.5
[M]- 276.91071 172.5
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.