CID 18545

Perchlorocyclobutenone

Structural Information

Molecular Formula
C4Cl4O
SMILES
C1(=C(C(C1=O)(Cl)Cl)Cl)Cl
InChI
InChI=1S/C4Cl4O/c5-1-2(6)4(7,8)3(1)9
InChIKey
NWDONRNKYCKRNT-UHFFFAOYSA-N
Compound name
2,3,4,4-tetrachlorocyclobut-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

44
Patents

203.87033 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.87761 123.6
[M+Na]+ 226.85955 134.6
[M+NH4]+ 221.90415 130.5
[M+K]+ 242.83349 127.9
[M-H]- 202.86305 122.2
[M+Na-2H]- 224.84500 129.5
[M]+ 203.86978 125.0
[M]- 203.87088 125.0
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