CID 179644

2-chloro-1-(2-chloropropoxy)propane

Structural Information

Molecular Formula
C6H12Cl2O
SMILES
CC(COCC(C)Cl)Cl
InChI
InChI=1S/C6H12Cl2O/c1-5(7)3-9-4-6(2)8/h5-6H,3-4H2,1-2H3
InChIKey
LTJNJOSNHALAPB-UHFFFAOYSA-N
Compound name
2-chloro-1-(2-chloropropoxy)propane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

101
Patents

170.02652 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.033796 132.3
[M+Na]+ 193.015738 140.2
[M-H]- 169.019244 132.0
[M+NH4]+ 188.060343 154.1
[M+K]+ 208.989678 137.4
[M+H-H2O]+ 153.023780 129.8
[M+HCOO]- 215.024721 144.9
[M+CH3COO]- 229.040371 179.7
[M+Na-2H]- 191.001186 135.9
[M]+ 170.02597142 136.3
[M]- 170.02706858 136.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

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Patent stripe

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