CID 3089623

Pfca-cl; c4hclf6o2

Structural Information

Molecular Formula
C4HClF6O2
SMILES
C(=O)(C(C(C(F)(F)Cl)(F)F)(F)F)O
InChI
InChI=1S/C4HClF6O2/c5-4(10,11)3(8,9)2(6,7)1(12)13/h(H,12,13)
InChIKey
HVNWAQQVKSBURV-UHFFFAOYSA-N
Compound name
4-chloro-2,2,3,3,4,4-hexafluorobutanoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1
Patents

229.95692 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.964196 130.9
[M+Na]+ 252.946138 140.8
[M-H]- 228.949644 123.0
[M+NH4]+ 247.990743 148.7
[M+K]+ 268.920078 137.5
[M+H-H2O]+ 212.954180 123.9
[M+HCOO]- 274.955121 138.2
[M+CH3COO]- 288.970771 184.6
[M+Na-2H]- 250.931586 136.2
[M]+ 229.95637142 123.6
[M]- 229.95746858 123.6
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

patents stripe