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
7
Annotation Hits

33
References

18564
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 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

literature stripe

Patent stripe

patents stripe