CID 130607331

(1r)-1-(3-bromo-5-chlorophenyl)ethan-1-amine hydrochloride

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

232.9607 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.967976 140.6
[M+Na]+ 255.949918 153.2
[M-H]- 231.953424 146.7
[M+NH4]+ 250.994523 162.8
[M+K]+ 271.923858 140.1
[M+H-H2O]+ 215.957960 141.5
[M+HCOO]- 277.958901 157.9
[M+CH3COO]- 291.974551 189.5
[M+Na-2H]- 253.935366 146.5
[M]+ 232.96015142 158.9
[M]- 232.96124858 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

No literature data available for this compound.

Patent stripe

patents stripe