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]+ 230.96420 130.9
[M+Na]+ 252.94614 140.8
[M-H]- 228.94964 123.0
[M+NH4]+ 247.99074 148.7
[M+K]+ 268.92008 137.5
[M+H-H2O]+ 212.95418 123.9
[M+HCOO]- 274.95512 138.2
[M+CH3COO]- 288.97077 184.6
[M+Na-2H]- 250.93159 136.2
[M]+ 229.95637 123.6
[M]- 229.95747 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