CID 18545

3200-96-2

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 119.1
[M+Na]+ 226.85955 131.3
[M-H]- 202.86305 120.5
[M+NH4]+ 221.90415 135.4
[M+K]+ 242.83349 128.1
[M+H-H2O]+ 186.86759 115.6
[M+HCOO]- 248.86853 124.0
[M+CH3COO]- 262.88418 187.3
[M+Na-2H]- 224.84500 124.5
[M]+ 203.86978 129.3
[M]- 203.87088 129.3
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