CID 79077

1,2-dichloro-1-ethoxyethane

Structural Information

Molecular Formula
C4H8Cl2O
SMILES
CCOC(CCl)Cl
InChI
InChI=1S/C4H8Cl2O/c1-2-7-4(6)3-5/h4H,2-3H2,1H3
InChIKey
NNBUKAPOVBEMNI-UHFFFAOYSA-N
Compound name
1,2-dichloro-1-ethoxyethane
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

403
Patents

141.99522 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 143.002496 123.2
[M+Na]+ 164.984438 132.1
[M-H]- 140.987944 123.1
[M+NH4]+ 160.029043 146.1
[M+K]+ 180.958378 129.5
[M+H-H2O]+ 124.992480 121.0
[M+HCOO]- 186.993421 137.3
[M+CH3COO]- 201.009071 173.0
[M+Na-2H]- 162.969886 129.1
[M]+ 141.99467142 127.0
[M]- 141.99576858 127.0
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