CID 81495

2-methoxybenzyl chloride

Structural Information

Molecular Formula
C8H9ClO
SMILES
COC1=CC=CC=C1CCl
InChI
InChI=1S/C8H9ClO/c1-10-8-5-3-2-4-7(8)6-9/h2-5H,6H2,1H3
InChIKey
UAWVMPOAIVZWFQ-UHFFFAOYSA-N
Compound name
1-(chloromethyl)-2-methoxybenzene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

2
References

2515
Patents

156.0342 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.041476 127.6
[M+Na]+ 179.023418 137.2
[M-H]- 155.026924 131.5
[M+NH4]+ 174.068023 149.9
[M+K]+ 194.997358 134.2
[M+H-H2O]+ 139.031460 123.3
[M+HCOO]- 201.032401 148.2
[M+CH3COO]- 215.048051 175.4
[M+Na-2H]- 177.008866 135.4
[M]+ 156.03365142 131.0
[M]- 156.03474858 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