CID 12388012

1,2-dichloro-1,2-dimethoxyethane

Structural Information

Molecular Formula
C4H8Cl2O2
SMILES
COC(C(OC)Cl)Cl
InChI
InChI=1S/C4H8Cl2O2/c1-7-3(5)4(6)8-2/h3-4H,1-2H3
InChIKey
TVRLVRWGJUVLQS-UHFFFAOYSA-N
Compound name
1,2-dichloro-1,2-dimethoxyethane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

157.99013 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 158.99741 125.2
[M+Na]+ 180.97935 134.0
[M-H]- 156.98285 125.4
[M+NH4]+ 176.02395 147.5
[M+K]+ 196.95329 132.2
[M+H-H2O]+ 140.98739 123.1
[M+HCOO]- 202.98833 138.8
[M+CH3COO]- 217.00398 175.7
[M+Na-2H]- 178.96480 130.0
[M]+ 157.98958 130.0
[M]- 157.99068 130.0
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