CID 13939349

2-chloro-1,3-dimethoxy-5-methylbenzene

Structural Information

Molecular Formula
C9H11ClO2
SMILES
CC1=CC(=C(C(=C1)OC)Cl)OC
InChI
InChI=1S/C9H11ClO2/c1-6-4-7(11-2)9(10)8(5-6)12-3/h4-5H,1-3H3
InChIKey
IOXKXMFPMHDABX-UHFFFAOYSA-N
Compound name
2-chloro-1,3-dimethoxy-5-methylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

28
Patents

186.04475 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.05203 133.9
[M+Na]+ 209.03397 144.9
[M-H]- 185.03747 138.5
[M+NH4]+ 204.07857 155.6
[M+K]+ 225.00791 142.2
[M+H-H2O]+ 169.04201 129.7
[M+HCOO]- 231.04295 154.5
[M+CH3COO]- 245.05860 182.7
[M+Na-2H]- 207.01942 139.8
[M]+ 186.04420 139.9
[M]- 186.04530 139.9
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