CID 4143839

1-(2-chloroethoxy)-2-methoxybenzene

Structural Information

Molecular Formula
C9H11ClO2
SMILES
COC1=CC=CC=C1OCCCl
InChI
InChI=1S/C9H11ClO2/c1-11-8-4-2-3-5-9(8)12-7-6-10/h2-5H,6-7H2,1H3
InChIKey
CJHKWIFDLHQWCU-UHFFFAOYSA-N
Compound name
1-(2-chloroethoxy)-2-methoxybenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

88
Patents

186.04475 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.052026 135.4
[M+Na]+ 209.033968 144.6
[M-H]- 185.037474 139.2
[M+NH4]+ 204.078573 156.4
[M+K]+ 225.007908 141.7
[M+H-H2O]+ 169.042010 130.6
[M+HCOO]- 231.042951 155.9
[M+CH3COO]- 245.058601 180.4
[M+Na-2H]- 207.019416 142.6
[M]+ 186.04420142 140.6
[M]- 186.04529858 140.6
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

patents stripe