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

69582
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]+ 120.95822 120.8
[M-H]- 96.961724 111.3
[M+NH4]+ 116.00282 135.7
[M+K]+ 136.93216 118.2
[M+H-H2O]+ 80.966260 109.5
[M+HCOO]- 142.96720 125.5
[M+CH3COO]- 156.98285 165.3
[M+Na-2H]- 118.94367 118.1
[M]+ 97.968451 112.7
[M]- 97.969549 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.