CID 369620

Nsc641533

Structural Information

Molecular Formula
C6Cl8
SMILES
C1(=C(Cl)Cl)C(=C(Cl)Cl)C(C1(Cl)Cl)(Cl)Cl
InChI
InChI=1S/C6Cl8/c7-3(8)1-2(4(9)10)6(13,14)5(1,11)12
InChIKey
WNYCWKSFQDZCCY-UHFFFAOYSA-N
Compound name
1,1,2,2-tetrachloro-3,4-bis(dichloromethylidene)cyclobutane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

351.75082 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 352.75810 164.0
[M+Na]+ 374.74004 169.1
[M-H]- 350.74354 155.9
[M+NH4]+ 369.78464 171.2
[M+K]+ 390.71398 167.3
[M+H-H2O]+ 334.74808 162.0
[M+HCOO]- 396.74902 146.7
[M+CH3COO]- 410.76467 216.4
[M+Na-2H]- 372.72549 158.2
[M]+ 351.75027 157.9
[M]- 351.75137 157.9
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

No patent data available for this compound.