CID 6365

1,1-dichloroethane

Structural Information

Molecular Formula
C2H4Cl2
SMILES
CC(Cl)Cl
InChI
InChI=1S/C2H4Cl2/c1-2(3)4/h2H,1H3
InChIKey
SCYULBFZEHDVBN-UHFFFAOYSA-N
Compound name
1,1-dichloroethane
Related CIDs

2D Structure

compound 2d structure
9
Annotation Hits

93
References

69755
Patents

97.969 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 98.976276 111.1
[M+Na]+ 120.958218 120.8
[M-H]- 96.961724 111.3
[M+NH4]+ 116.002823 135.7
[M+K]+ 136.932158 118.2
[M+H-H2O]+ 80.966260 109.5
[M+HCOO]- 142.967201 125.5
[M+CH3COO]- 156.982851 165.3
[M+Na-2H]- 118.943666 118.1
[M]+ 97.96845142 112.7
[M]- 97.96954858 112.7
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