CID 79077

1,2-dichloroethyl ethyl ether

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
2
Annotation Hits

0
References

438
Patents

141.99522 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 143.00250 122.3
[M+Na]+ 164.98444 134.8
[M+NH4]+ 160.02904 131.6
[M+K]+ 180.95838 128.3
[M-H]- 140.98794 122.3
[M+Na-2H]- 162.96989 127.5
[M]+ 141.99467 124.6
[M]- 141.99577 124.6
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