CID 115272

Propene, 3,3-dichloro-2-methyl-

Structural Information

Molecular Formula
C4H6Cl2
SMILES
CC(=C)C(Cl)Cl
InChI
InChI=1S/C4H6Cl2/c1-3(2)4(5)6/h4H,1H2,2H3
InChIKey
IBOBCGSJCSKTKP-UHFFFAOYSA-N
Compound name
3,3-dichloro-2-methylprop-1-ene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

120
Patents

123.98466 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 124.99194 118.8
[M+Na]+ 146.97388 127.8
[M-H]- 122.97738 118.9
[M+NH4]+ 142.01848 142.3
[M+K]+ 162.94782 124.5
[M+H-H2O]+ 106.98192 117.0
[M+HCOO]- 168.98286 131.9
[M+CH3COO]- 182.99851 171.0
[M+Na-2H]- 144.95933 123.6
[M]+ 123.98411 119.9
[M]- 123.98521 119.9
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