CID 568555

1-chloro-4-(2,2-diethoxyethoxy)benzene

Structural Information

Molecular Formula
C12H17ClO3
SMILES
CCOC(COC1=CC=C(C=C1)Cl)OCC
InChI
InChI=1S/C12H17ClO3/c1-3-14-12(15-4-2)9-16-11-7-5-10(13)6-8-11/h5-8,12H,3-4,9H2,1-2H3
InChIKey
OYHYJHOCOUPQPL-UHFFFAOYSA-N
Compound name
1-chloro-4-(2,2-diethoxyethoxy)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

20
Patents

244.08662 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.09390 152.5
[M+Na]+ 267.07584 160.0
[M-H]- 243.07934 155.8
[M+NH4]+ 262.12044 171.0
[M+K]+ 283.04978 157.4
[M+H-H2O]+ 227.08388 147.0
[M+HCOO]- 289.08482 171.3
[M+CH3COO]- 303.10047 192.1
[M+Na-2H]- 265.06129 156.8
[M]+ 244.08607 159.7
[M]- 244.08717 159.7
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