CID 11244

1-propene, 3,3-dichloro-

Structural Information

Molecular Formula
C3H4Cl2
SMILES
C=CC(Cl)Cl
InChI
InChI=1S/C3H4Cl2/c1-2-3(4)5/h2-3H,1H2
InChIKey
VRTNIWBNFSHDEB-UHFFFAOYSA-N
Compound name
3,3-dichloroprop-1-ene
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

5
References

6428
Patents

109.969 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 110.976276 114.6
[M+Na]+ 132.958218 124.2
[M-H]- 108.961724 114.7
[M+NH4]+ 128.002823 138.6
[M+K]+ 148.932158 120.8
[M+H-H2O]+ 92.966260 112.9
[M+HCOO]- 154.967201 128.9
[M+CH3COO]- 168.982851 167.2
[M+Na-2H]- 130.943666 121.1
[M]+ 109.96845142 115.9
[M]- 109.96954858 115.9
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