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
7
Annotation Hits

94
References

50537
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 110.8
[M+Na]+ 120.95822 124.1
[M+NH4]+ 116.00282 121.0
[M+K]+ 136.93216 117.5
[M-H]- 96.961724 111.4
[M+Na-2H]- 118.94367 117.0
[M]+ 97.968451 113.4
[M]- 97.969549 113.4
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