CID 87185480

Pfo3oa

Structural Information

Molecular Formula
C5HF9O5
SMILES
C(=O)(C(OC(OC(OC(F)(F)F)(F)F)(F)F)(F)F)O
InChI
InChI=1S/C5HF9O5/c6-2(7,1(15)16)17-4(11,12)19-5(13,14)18-3(8,9)10/h(H,15,16)
InChIKey
SJKDXZGLKADOQD-UHFFFAOYSA-N
Compound name
2-[[difluoro(trifluoromethoxy)methoxy]-difluoromethoxy]-2,2-difluoroacetic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

27
Patents

311.96802 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 312.97530 148.9
[M+Na]+ 334.95724 157.8
[M-H]- 310.96074 137.3
[M+NH4]+ 330.00184 162.0
[M+K]+ 350.93118 157.4
[M+H-H2O]+ 294.96528 138.2
[M+HCOO]- 356.96622 156.1
[M+CH3COO]- 370.98187 198.8
[M+Na-2H]- 332.94269 153.9
[M]+ 311.96747 139.1
[M]- 311.96857 139.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe