CID 542752

1-chloro-4-(diethoxymethoxy)benzene

Structural Information

Molecular Formula
C11H15ClO3
SMILES
CCOC(OCC)OC1=CC=C(C=C1)Cl
InChI
InChI=1S/C11H15ClO3/c1-3-13-11(14-4-2)15-10-7-5-9(12)6-8-10/h5-8,11H,3-4H2,1-2H3
InChIKey
XAFMQMCKWRIGTQ-UHFFFAOYSA-N
Compound name
1-chloro-4-(diethoxymethoxy)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

230.07097 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.07825 147.8
[M+Na]+ 253.06019 155.7
[M-H]- 229.06369 151.3
[M+NH4]+ 248.10479 166.9
[M+K]+ 269.03413 153.4
[M+H-H2O]+ 213.06823 142.4
[M+HCOO]- 275.06917 166.9
[M+CH3COO]- 289.08482 189.2
[M+Na-2H]- 251.04564 152.6
[M]+ 230.07042 154.6
[M]- 230.07152 154.6
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