CID 11105832

1-(chloromethoxy)-4-methoxybenzene

Structural Information

Molecular Formula
C8H9ClO2
SMILES
COC1=CC=C(C=C1)OCCl
InChI
InChI=1S/C8H9ClO2/c1-10-7-2-4-8(5-3-7)11-6-9/h2-5H,6H2,1H3
InChIKey
LUTVKDSEUGMERN-UHFFFAOYSA-N
Compound name
1-(chloromethoxy)-4-methoxybenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

22
Patents

172.02911 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.036386 130.7
[M+Na]+ 195.018328 140.2
[M-H]- 171.021834 134.6
[M+NH4]+ 190.062933 152.2
[M+K]+ 210.992268 137.7
[M+H-H2O]+ 155.026370 126.1
[M+HCOO]- 217.027311 151.5
[M+CH3COO]- 231.042961 177.4
[M+Na-2H]- 193.003776 138.4
[M]+ 172.02856142 135.5
[M]- 172.02965858 135.5
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