CID 162049

1,2-dichloro-1-methoxyethane

Structural Information

Molecular Formula
C3H6Cl2O
SMILES
COC(CCl)Cl
InChI
InChI=1S/C3H6Cl2O/c1-6-3(5)2-4/h3H,2H2,1H3
InChIKey
LXEOQHPAKLYXTH-UHFFFAOYSA-N
Compound name
1,2-dichloro-1-methoxyethane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

103
Patents

127.97957 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 128.986846 118.5
[M+Na]+ 150.968788 127.8
[M-H]- 126.972294 118.6
[M+NH4]+ 146.013393 141.9
[M+K]+ 166.942728 125.4
[M+H-H2O]+ 110.976830 116.5
[M+HCOO]- 172.977771 132.9
[M+CH3COO]- 186.993421 170.0
[M+Na-2H]- 148.954236 124.9
[M]+ 127.97902142 121.9
[M]- 127.98011858 121.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe