CID 83350169

2733995-54-3

Structural Information

Molecular Formula
C8H9BrClN
SMILES
CC(C1=C(C=CC(=C1)Br)Cl)N
InChI
InChI=1S/C8H9BrClN/c1-5(11)7-4-6(9)2-3-8(7)10/h2-5H,11H2,1H3
InChIKey
AYRPXHNLJXNKGG-UHFFFAOYSA-N
Compound name
1-(5-bromo-2-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]+ 233.96798 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

No literature data available for this compound.

Patent stripe

patents stripe