CID 15859

1871-57-4

Structural Information

Molecular Formula
C4H6Cl2
SMILES
C=C(CCl)CCl
InChI
InChI=1S/C4H6Cl2/c1-4(2-5)3-6/h1-3H2
InChIKey
XJFZOSUFGSANIF-UHFFFAOYSA-N
Compound name
3-chloro-2-(chloromethyl)prop-1-ene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

2
References

2290
Patents

123.98466 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 124.99194 119.4
[M+Na]+ 146.97388 128.5
[M-H]- 122.97738 119.2
[M+NH4]+ 142.01848 142.8
[M+K]+ 162.94782 124.8
[M+H-H2O]+ 106.98192 117.4
[M+HCOO]- 168.98286 133.3
[M+CH3COO]- 182.99851 170.2
[M+Na-2H]- 144.95933 125.2
[M]+ 123.98411 121.0
[M]- 123.98521 121.0
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