CID 22504

Hexachlorocyclobutene

Structural Information

Molecular Formula
C4Cl6
SMILES
C1(=C(C(C1(Cl)Cl)(Cl)Cl)Cl)Cl
InChI
InChI=1S/C4Cl6/c5-1-2(6)4(9,10)3(1,7)8
InChIKey
QXFKQCYWJWBUTR-UHFFFAOYSA-N
Compound name
1,2,3,3,4,4-hexachlorocyclobutene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

69
Patents

257.8131 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.820376 132.7
[M+Na]+ 280.802318 142.8
[M-H]- 256.805824 129.7
[M+NH4]+ 275.846923 146.3
[M+K]+ 296.776258 139.7
[M+H-H2O]+ 240.810360 130.8
[M+HCOO]- 302.811301 126.7
[M+CH3COO]- 316.826951 199.8
[M+Na-2H]- 278.787766 135.1
[M]+ 257.81255142 136.5
[M]- 257.81364858 136.5
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