CID 61632

1,2-bis(chloromethoxy)ethane

Structural Information

Molecular Formula
C4H8Cl2O2
SMILES
C(COCCl)OCCl
InChI
InChI=1S/C4H8Cl2O2/c5-3-7-1-2-8-4-6/h1-4H2
InChIKey
IDFLGSYEBJNWMK-UHFFFAOYSA-N
Compound name
1,2-bis(chloromethoxy)ethane
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

1
References

63
Patents

157.99013 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 158.997406 125.7
[M+Na]+ 180.979348 134.8
[M-H]- 156.982854 125.5
[M+NH4]+ 176.023953 148.0
[M+K]+ 196.953288 132.2
[M+H-H2O]+ 140.987390 123.2
[M+HCOO]- 202.988331 141.0
[M+CH3COO]- 217.003981 174.1
[M+Na-2H]- 178.964796 132.8
[M]+ 157.98958142 131.6
[M]- 157.99067858 131.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe