CID 121362439

(1r)-1-(2-bromo-5-chlorophenyl)ethan-1-amine hydrochloride

Structural Information

Molecular Formula
C8H9BrClN
SMILES
C[C@H](C1=C(C=CC(=C1)Cl)Br)N
InChI
InChI=1S/C8H9BrClN/c1-5(11)7-4-6(10)2-3-8(7)9/h2-5H,11H2,1H3/t5-/m1/s1
InChIKey
YWAIBVYCGUKECT-RXMQYKEDSA-N
Compound name
(1R)-1-(2-bromo-5-chlorophenyl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

16
Patents

232.9607 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.96798 140.6
[M+Na]+ 255.94992 153.2
[M-H]- 231.95342 146.7
[M+NH4]+ 250.99452 162.8
[M+K]+ 271.92386 140.1
[M+H-H2O]+ 215.95796 141.5
[M+HCOO]- 277.95890 157.9
[M+CH3COO]- 291.97455 189.5
[M+Na-2H]- 253.93537 146.5
[M]+ 232.96015 158.9
[M]- 232.96125 158.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe