CID 6564

1,2-dichloropropane

Structural Information

Molecular Formula
C3H6Cl2
SMILES
CC(CCl)Cl
InChI
InChI=1S/C3H6Cl2/c1-3(5)2-4/h3H,2H2,1H3
InChIKey
KNKRKFALVUDBJE-UHFFFAOYSA-N
Compound name
1,2-dichloropropane
Related CIDs

2D Structure

compound 2d structure
8
Annotation Hits

138
References

37196
Patents

111.98466 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 112.99194 115.8
[M+Na]+ 134.97388 125.1
[M-H]- 110.97738 115.9
[M+NH4]+ 130.01848 139.9
[M+K]+ 150.94782 122.3
[M+H-H2O]+ 94.981920 114.0
[M+HCOO]- 156.98286 130.0
[M+CH3COO]- 170.99851 168.2
[M+Na-2H]- 132.95933 122.3
[M]+ 111.98411 117.8
[M]- 111.98521 117.8
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