CID 81502

1-chloro-3,5-dimethoxybenzene

Structural Information

Molecular Formula
C8H9ClO2
SMILES
COC1=CC(=CC(=C1)Cl)OC
InChI
InChI=1S/C8H9ClO2/c1-10-7-3-6(9)4-8(5-7)11-2/h3-5H,1-2H3
InChIKey
WQHNWJBSROXROL-UHFFFAOYSA-N
Compound name
1-chloro-3,5-dimethoxybenzene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

584
Patents

172.02911 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.03639 130.0
[M+Na]+ 195.01833 144.9
[M+NH4]+ 190.06293 139.6
[M+K]+ 210.99227 137.7
[M-H]- 171.02183 132.7
[M+Na-2H]- 193.00378 138.1
[M]+ 172.02856 133.3
[M]- 172.02966 133.3
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