CID 171338305

2-(5-bromo-2-iodophenyl)ethan-1-amine

Structural Information

Molecular Formula
C8H9BrIN
SMILES
C1=CC(=C(C=C1Br)CCN)I
InChI
InChI=1S/C8H9BrIN/c9-7-1-2-8(10)6(5-7)3-4-11/h1-2,5H,3-4,11H2
InChIKey
CPWDOGVBIROOMF-UHFFFAOYSA-N
Compound name
2-(5-bromo-2-iodophenyl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

324.8963 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.90358 151.2
[M+Na]+ 347.88552 155.7
[M-H]- 323.88902 150.3
[M+NH4]+ 342.93012 168.1
[M+K]+ 363.85946 149.9
[M+H-H2O]+ 307.89356 147.1
[M+HCOO]- 369.89450 168.4
[M+CH3COO]- 383.91015 195.7
[M+Na-2H]- 345.87097 146.2
[M]+ 324.89575 164.7
[M]- 324.89685 164.7
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.