CID 8115

111-44-4

Structural Information

Molecular Formula
C4H8Cl2O
SMILES
C(CCl)OCCCl
InChI
InChI=1S/C4H8Cl2O/c5-1-3-7-4-2-6/h1-4H2
InChIKey
ZNSMNVMLTJELDZ-UHFFFAOYSA-N
Compound name
1-chloro-2-(2-chloroethoxy)ethane
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

33
References

17742
Patents

141.99522 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 143.00250 121.8
[M+Na]+ 164.98444 134.6
[M+NH4]+ 160.02904 131.2
[M+K]+ 180.95838 127.3
[M-H]- 140.98794 121.9
[M+Na-2H]- 162.96989 127.4
[M]+ 141.99467 124.2
[M]- 141.99577 124.2
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