CID 11243

1-propene, 1,2-dichloro-

Structural Information

Molecular Formula
C3H4Cl2
SMILES
CC(=CCl)Cl
InChI
InChI=1S/C3H4Cl2/c1-3(5)2-4/h2H,1H3
InChIKey
PPKPKFIWDXDAGC-UHFFFAOYSA-N
Compound name
1,2-dichloroprop-1-ene
Related CIDs

2D Structure

compound 2d structure
7
Annotation Hits

1
References

3949
Patents

109.969 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 110.97628 114.8
[M+Na]+ 132.95822 124.5
[M-H]- 108.96172 114.9
[M+NH4]+ 128.00282 138.9
[M+K]+ 148.93216 121.1
[M+H-H2O]+ 92.966260 113.1
[M+HCOO]- 154.96720 129.1
[M+CH3COO]- 168.98285 166.6
[M+Na-2H]- 130.94367 121.3
[M]+ 109.96845 116.0
[M]- 109.96955 116.0
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