CID 11208996

1-bromo-4-(iodoethynyl)benzene

Structural Information

Molecular Formula
C8H4BrI
SMILES
C1=CC(=CC=C1C#CI)Br
InChI
InChI=1S/C8H4BrI/c9-8-3-1-7(2-4-8)5-6-10/h1-4H
InChIKey
HSDYNLNDWWCMOL-UHFFFAOYSA-N
Compound name
1-bromo-4-(2-iodoethynyl)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

305.8541 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.86138 138.9
[M+Na]+ 328.84332 147.0
[M-H]- 304.84682 136.8
[M+NH4]+ 323.88792 155.1
[M+K]+ 344.81726 140.0
[M+H-H2O]+ 288.85136 130.7
[M+HCOO]- 350.85230 153.6
[M+CH3COO]- 364.86795 196.4
[M+Na-2H]- 326.82877 136.2
[M]+ 305.85355 147.2
[M]- 305.85465 147.2
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

No patent data available for this compound.