CID 12211400

1587-26-4

Structural Information

Molecular Formula
C4H6Cl2
SMILES
C/C(=C(\C)/Cl)/Cl
InChI
InChI=1S/C4H6Cl2/c1-3(5)4(2)6/h1-2H3/b4-3-
InChIKey
YRCBNVMRRBIDNF-ARJAWSKDSA-N
Compound name
(Z)-2,3-dichlorobut-2-ene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

548
Patents

123.98466 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 124.991936 119.0
[M+Na]+ 146.973878 128.1
[M-H]- 122.977384 119.1
[M+NH4]+ 142.018483 142.6
[M+K]+ 162.947818 124.8
[M+H-H2O]+ 106.981920 117.2
[M+HCOO]- 168.982861 132.1
[M+CH3COO]- 182.998511 170.4
[M+Na-2H]- 144.959326 123.8
[M]+ 123.98411142 120.0
[M]- 123.98520858 120.0
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