CID 2758394

1-(chloromethyl)-2,3-dimethoxybenzene

Structural Information

Molecular Formula
C9H11ClO2
SMILES
COC1=CC=CC(=C1OC)CCl
InChI
InChI=1S/C9H11ClO2/c1-11-8-5-3-4-7(6-10)9(8)12-2/h3-5H,6H2,1-2H3
InChIKey
MJRVJLUCLPUZER-UHFFFAOYSA-N
Compound name
1-(chloromethyl)-2,3-dimethoxybenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

150
Patents

186.04475 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.05203 134.7
[M+Na]+ 209.03397 144.8
[M-H]- 185.03747 138.9
[M+NH4]+ 204.07857 156.1
[M+K]+ 225.00791 142.1
[M+H-H2O]+ 169.04201 130.3
[M+HCOO]- 231.04295 155.3
[M+CH3COO]- 245.05860 181.5
[M+Na-2H]- 207.01942 141.3
[M]+ 186.04420 140.3
[M]- 186.04530 140.3
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