CID 106470

1,4-dibutoxy-2,5-dichlorobenzene

Structural Information

Molecular Formula
C14H20Cl2O2
SMILES
CCCCOC1=CC(=C(C=C1Cl)OCCCC)Cl
InChI
InChI=1S/C14H20Cl2O2/c1-3-5-7-17-13-9-12(16)14(10-11(13)15)18-8-6-4-2/h9-10H,3-8H2,1-2H3
InChIKey
KSNRQRXMGLBIJR-UHFFFAOYSA-N
Compound name
1,4-dibutoxy-2,5-dichlorobenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

290.08405 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.09133 163.3
[M+Na]+ 313.07327 172.5
[M-H]- 289.07677 166.1
[M+NH4]+ 308.11787 181.1
[M+K]+ 329.04721 167.0
[M+H-H2O]+ 273.08131 158.7
[M+HCOO]- 335.08225 177.0
[M+CH3COO]- 349.09790 202.0
[M+Na-2H]- 311.05872 165.6
[M]+ 290.08350 172.0
[M]- 290.08460 172.0
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