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

75
Patents

186.04475 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.05203 135.4
[M+Na]+ 209.03397 144.6
[M-H]- 185.03747 139.2
[M+NH4]+ 204.07857 156.4
[M+K]+ 225.00791 141.7
[M+H-H2O]+ 169.04201 130.6
[M+HCOO]- 231.04295 155.9
[M+CH3COO]- 245.05860 180.4
[M+Na-2H]- 207.01942 142.6
[M]+ 186.04420 140.6
[M]- 186.04530 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