CID 12187202

2-bromo-5-iodoanisole

Structural Information

Molecular Formula
C7H6BrIO
SMILES
COC1=C(C=CC(=C1)I)Br
InChI
InChI=1S/C7H6BrIO/c1-10-7-4-5(9)2-3-6(7)8/h2-4H,1H3
InChIKey
PIPWNWZBTWYPJB-UHFFFAOYSA-N
Compound name
1-bromo-4-iodo-2-methoxybenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

434
Patents

311.8647 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 312.87198 141.0
[M+Na]+ 334.85392 139.5
[M+NH4]+ 329.89852 143.1
[M+K]+ 350.82786 141.4
[M-H]- 310.85742 136.9
[M+Na-2H]- 332.83937 134.8
[M]+ 311.86415 137.7
[M]- 311.86525 137.7
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

patents stripe