CID 40273

2-chloro-1,4-diethoxybenzene

Structural Information

Molecular Formula
C10H13ClO2
SMILES
CCOC1=CC(=C(C=C1)OCC)Cl
InChI
InChI=1S/C10H13ClO2/c1-3-12-8-5-6-10(13-4-2)9(11)7-8/h5-7H,3-4H2,1-2H3
InChIKey
ZIMKMIAIVORSSX-UHFFFAOYSA-N
Compound name
2-chloro-1,4-diethoxybenzene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

11
Patents

200.06041 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.067686 139.5
[M+Na]+ 223.049628 149.2
[M-H]- 199.053134 143.5
[M+NH4]+ 218.094233 160.3
[M+K]+ 239.023568 146.1
[M+H-H2O]+ 183.057670 134.8
[M+HCOO]- 245.058611 159.7
[M+CH3COO]- 259.074261 184.5
[M+Na-2H]- 221.035076 145.5
[M]+ 200.05986142 145.4
[M]- 200.06095858 145.4
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