CID 138394354

Pfo2hxa

Structural Information

Molecular Formula
C4HF7O4
SMILES
C(=O)(C(OC(OC(F)(F)F)(F)F)(F)F)O
InChI
InChI=1S/C4HF7O4/c5-2(6,1(12)13)14-4(10,11)15-3(7,8)9/h(H,12,13)
InChIKey
GCSHTDCBGCURHU-UHFFFAOYSA-N
Compound name
2-[difluoro(trifluoromethoxy)methoxy]-2,2-difluoroacetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

245.9763 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.98358 170.2
[M+Na]+ 268.96552 171.5
[M+NH4]+ 264.01012 169.8
[M+K]+ 284.93946 170.0
[M-H]- 244.96902 160.0
[M+Na-2H]- 266.95097 167.0
[M]+ 245.97575 166.9
[M]- 245.97685 166.9
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