CID 69993

4-methoxybenzyl chloride

Structural Information

Molecular Formula
C8H9ClO
SMILES
COC1=CC=C(C=C1)CCl
InChI
InChI=1S/C8H9ClO/c1-10-8-4-2-7(6-9)3-5-8/h2-5H,6H2,1H3
InChIKey
MOHYOXXOKFQHDC-UHFFFAOYSA-N
Compound name
1-(chloromethyl)-4-methoxybenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

11
References

25267
Patents

156.0342 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.04148 127.5
[M+Na]+ 179.02342 142.5
[M+NH4]+ 174.06802 137.7
[M+K]+ 194.99736 134.5
[M-H]- 155.02692 130.6
[M+Na-2H]- 177.00887 136.2
[M]+ 156.03365 131.0
[M]- 156.03475 131.0
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