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

30
Patents

141.99522 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 143.00250 123.3
[M+Na]+ 164.98444 132.5
[M-H]- 140.98794 123.1
[M+NH4]+ 160.02904 146.2
[M+K]+ 180.95838 129.4
[M+H-H2O]+ 124.99248 121.0
[M+HCOO]- 186.99342 138.4
[M+CH3COO]- 201.00907 172.2
[M+Na-2H]- 162.96989 130.4
[M]+ 141.99467 127.7
[M]- 141.99577 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