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]+ 282.82038 145.4
[M+Na]+ 304.80232 153.8
[M-H]- 280.80582 141.5
[M+NH4]+ 299.84692 155.0
[M+K]+ 320.77626 150.1
[M+H-H2O]+ 264.81036 141.0
[M+HCOO]- 326.81130 137.2
[M+CH3COO]- 340.82695 203.8
[M+Na-2H]- 302.78777 142.7
[M]+ 281.81255 147.8
[M]- 281.81365 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.