CID 3014142

2,3,4,4-tetrachloro-3-butenoic acid

Structural Information

Molecular Formula
C4H2Cl4O2
SMILES
C(C(=C(Cl)Cl)Cl)(C(=O)O)Cl
InChI
InChI=1S/C4H2Cl4O2/c5-1(3(7)8)2(6)4(9)10/h2H,(H,9,10)
InChIKey
LJVPOYAGTBUSJW-UHFFFAOYSA-N
Compound name
2,3,4,4-tetrachlorobut-3-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

221.88089 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.88817 133.0
[M+Na]+ 244.87011 140.9
[M-H]- 220.87361 129.7
[M+NH4]+ 239.91471 151.0
[M+K]+ 260.84405 136.1
[M+H-H2O]+ 204.87815 133.1
[M+HCOO]- 266.87909 133.1
[M+CH3COO]- 280.89474 184.7
[M+Na-2H]- 242.85556 133.0
[M]+ 221.88034 132.4
[M]- 221.88144 132.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.