CID 11

1,2-dichloroethane

Structural Information

Molecular Formula
C2H4Cl2
SMILES
C(CCl)Cl
InChI
InChI=1S/C2H4Cl2/c3-1-2-4/h1-2H2
InChIKey
WSLDOOZREJYCGB-UHFFFAOYSA-N
Compound name
1,2-dichloroethane
Related CIDs

2D Structure

compound 2d structure
11
Annotation Hits

1070
References

89150
Patents

97.969 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 98.976276 111.4
[M+Na]+ 120.958218 121.2
[M-H]- 96.961724 111.4
[M+NH4]+ 116.002823 135.9
[M+K]+ 136.932158 118.3
[M+H-H2O]+ 80.966260 109.6
[M+HCOO]- 142.967201 126.7
[M+CH3COO]- 156.982851 164.5
[M+Na-2H]- 118.943666 119.5
[M]+ 97.96845142 113.5
[M]- 97.96954858 113.5
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