CID 138394354

39492-88-1

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
2
Annotation Hits

0
References

18
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 136.7
[M+Na]+ 268.96552 145.7
[M-H]- 244.96902 127.3
[M+NH4]+ 264.01012 152.7
[M+K]+ 284.93946 145.2
[M+H-H2O]+ 228.97356 127.5
[M+HCOO]- 290.97450 147.6
[M+CH3COO]- 304.99015 187.2
[M+Na-2H]- 266.95097 141.9
[M]+ 245.97575 128.7
[M]- 245.97685 128.7
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