CID 19043790

Bis(3,3-dichloropropoxy)methane

Structural Information

Molecular Formula
C7H12Cl4O2
SMILES
C(COCOCCC(Cl)Cl)C(Cl)Cl
InChI
InChI=1S/C7H12Cl4O2/c8-6(9)1-3-12-5-13-4-2-7(10)11/h6-7H,1-5H2
InChIKey
QODLOKFYXBIIRA-UHFFFAOYSA-N
Compound name
1,1-dichloro-3-(3,3-dichloropropoxymethoxy)propane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

3
Patents

267.95914 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.96642 150.4
[M+Na]+ 290.94836 157.3
[M-H]- 266.95186 147.4
[M+NH4]+ 285.99296 167.5
[M+K]+ 306.92230 152.9
[M+H-H2O]+ 250.95640 148.8
[M+HCOO]- 312.95734 152.1
[M+CH3COO]- 326.97299 195.8
[M+Na-2H]- 288.93381 151.2
[M]+ 267.95859 154.8
[M]- 267.95969 154.8
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

No patent data available for this compound.