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
1
Annotation Hits

0
References

87
Patents

127.97957 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 128.98685 118.5
[M+Na]+ 150.96879 127.8
[M-H]- 126.97229 118.6
[M+NH4]+ 146.01339 141.9
[M+K]+ 166.94273 125.4
[M+H-H2O]+ 110.97683 116.5
[M+HCOO]- 172.97777 132.9
[M+CH3COO]- 186.99342 170.0
[M+Na-2H]- 148.95424 124.9
[M]+ 127.97902 121.9
[M]- 127.98012 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