CID 11660

2,2-dichloropropane

Structural Information

Molecular Formula
C3H6Cl2
SMILES
CC(C)(Cl)Cl
InChI
InChI=1S/C3H6Cl2/c1-3(2,4)5/h1-2H3
InChIKey
ZEOVXNVKXIPWMS-UHFFFAOYSA-N
Compound name
2,2-dichloropropane
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

9
References

4649
Patents

111.98466 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 112.991936 116.2
[M+Na]+ 134.973878 126.2
[M-H]- 110.977384 116.6
[M+NH4]+ 130.018483 140.4
[M+K]+ 150.947818 123.3
[M+H-H2O]+ 94.981920 114.8
[M+HCOO]- 156.982861 129.7
[M+CH3COO]- 170.998511 167.7
[M+Na-2H]- 132.959326 124.3
[M]+ 111.98411142 118.3
[M]- 111.98520858 118.3
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