CID 92134831

4-iodo-3-methoxybenzyl bromide

Structural Information

Molecular Formula
C8H8BrIO
SMILES
COC1=C(C=CC(=C1)CBr)I
InChI
InChI=1S/C8H8BrIO/c1-11-8-4-6(5-9)2-3-7(8)10/h2-4H,5H2,1H3
InChIKey
LMOHPKJDALSETL-UHFFFAOYSA-N
Compound name
4-(bromomethyl)-1-iodo-2-methoxybenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

325.88034 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.88762 146.4
[M+Na]+ 348.86956 151.9
[M-H]- 324.87306 146.2
[M+NH4]+ 343.91416 164.0
[M+K]+ 364.84350 147.3
[M+H-H2O]+ 308.87760 143.1
[M+HCOO]- 370.87854 163.7
[M+CH3COO]- 384.89419 193.8
[M+Na-2H]- 346.85501 142.6
[M]+ 325.87979 163.0
[M]- 325.88089 163.0
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.