CID 625085

3,4-bis(dichloromethylene)-1,2-dichloro-1-cyclobutene

Structural Information

Molecular Formula
C6Cl6
SMILES
C1(=C(C(=C(Cl)Cl)C1=C(Cl)Cl)Cl)Cl
InChI
InChI=1S/C6Cl6/c7-3-1(5(9)10)2(4(3)8)6(11)12
InChIKey
CRBWLZHAYSNDPR-UHFFFAOYSA-N
Compound name
1,2-dichloro-3,4-bis(dichloromethylidene)cyclobutene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

281.8131 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.820376 145.4
[M+Na]+ 304.802318 153.8
[M-H]- 280.805824 141.5
[M+NH4]+ 299.846923 155.0
[M+K]+ 320.776258 150.1
[M+H-H2O]+ 264.810360 141.0
[M+HCOO]- 326.811301 137.2
[M+CH3COO]- 340.826951 203.8
[M+Na-2H]- 302.787766 142.7
[M]+ 281.81255142 147.8
[M]- 281.81364858 147.8
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

No patent data available for this compound.