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

13
Patents

200.06041 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.06769 139.5
[M+Na]+ 223.04963 149.2
[M-H]- 199.05313 143.5
[M+NH4]+ 218.09423 160.3
[M+K]+ 239.02357 146.1
[M+H-H2O]+ 183.05767 134.8
[M+HCOO]- 245.05861 159.7
[M+CH3COO]- 259.07426 184.5
[M+Na-2H]- 221.03508 145.5
[M]+ 200.05986 145.4
[M]- 200.06096 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