CID 165021

4-methoxybenzyl bromide

Structural Information

Molecular Formula
C8H9BrO
SMILES
COC1=CC=C(C=C1)CBr
InChI
InChI=1S/C8H9BrO/c1-10-8-4-2-7(6-9)3-5-8/h2-5H,6H2,1H3
InChIKey
GIGRWGTZFONRKA-UHFFFAOYSA-N
Compound name
1-(bromomethyl)-4-methoxybenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

6557
Patents

199.98367 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.99095 132.9
[M+Na]+ 222.97289 137.3
[M+NH4]+ 218.01749 138.8
[M+K]+ 238.94683 136.4
[M-H]- 198.97639 134.2
[M+Na-2H]- 220.95834 137.8
[M]+ 199.98312 132.8
[M]- 199.98422 132.8
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