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

621
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 129.9
[M+Na]+ 195.01833 140.5
[M-H]- 171.02183 134.3
[M+NH4]+ 190.06293 151.8
[M+K]+ 210.99227 138.0
[M+H-H2O]+ 155.02637 125.7
[M+HCOO]- 217.02731 150.8
[M+CH3COO]- 231.04296 178.5
[M+Na-2H]- 193.00378 137.0
[M]+ 172.02856 135.2
[M]- 172.02966 135.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.