CID 165819027

2825011-20-7

Structural Information

Molecular Formula
C8H9BrINO
SMILES
C1=C(C=C(C=C1Br)I)OCCN
InChI
InChI=1S/C8H9BrINO/c9-6-3-7(10)5-8(4-6)12-2-1-11/h3-5H,1-2,11H2
InChIKey
CPIGDUDIKFACPS-UHFFFAOYSA-N
Compound name
2-(3-bromo-5-iodophenoxy)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

340.8912 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.89848 155.2
[M+Na]+ 363.88042 159.5
[M-H]- 339.88392 154.3
[M+NH4]+ 358.92502 171.4
[M+K]+ 379.85436 154.2
[M+H-H2O]+ 323.88846 150.7
[M+HCOO]- 385.88940 172.5
[M+CH3COO]- 399.90505 197.4
[M+Na-2H]- 361.86587 150.0
[M]+ 340.89065 169.9
[M]- 340.89175 169.9
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

No patent data available for this compound.