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

29
Patents

245.9763 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.983576 136.7
[M+Na]+ 268.965518 145.7
[M-H]- 244.969024 127.3
[M+NH4]+ 264.010123 152.7
[M+K]+ 284.939458 145.2
[M+H-H2O]+ 228.973560 127.5
[M+HCOO]- 290.974501 147.6
[M+CH3COO]- 304.990151 187.2
[M+Na-2H]- 266.950966 141.9
[M]+ 245.97575142 128.7
[M]- 245.97684858 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