CID 53229890

1-chloro-3-(chloromethoxy)propane

Structural Information

Molecular Formula
C4H8Cl2O
SMILES
C(COCCl)CCl
InChI
InChI=1S/C4H8Cl2O/c5-2-1-3-7-4-6/h1-4H2
InChIKey
XWNGXPYKQXUGLF-UHFFFAOYSA-N
Compound name
1-chloro-3-(chloromethoxy)propane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

39
Patents

141.99522 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 143.002496 123.3
[M+Na]+ 164.984438 132.5
[M-H]- 140.987944 123.1
[M+NH4]+ 160.029043 146.2
[M+K]+ 180.958378 129.4
[M+H-H2O]+ 124.992480 121.0
[M+HCOO]- 186.993421 138.4
[M+CH3COO]- 201.009071 172.2
[M+Na-2H]- 162.969886 130.4
[M]+ 141.99467142 127.7
[M]- 141.99576858 127.7
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