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

626
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

literature stripe

Patent stripe

patents stripe