CID 139595696

Dtxsid301335956

Structural Information

Molecular Formula
C10H4F14O6
SMILES
COC(=O)C(C(OC(C(OC(C(=O)O)(C(F)(F)F)F)(F)F)(C(F)(F)F)F)(F)F)(F)F
InChI
InChI=1S/C10H4F14O6/c1-28-3(27)4(11,12)9(21,22)30-6(14,8(18,19)20)10(23,24)29-5(13,2(25)26)7(15,16)17/h1H3,(H,25,26)
InChIKey
KALNCJBKGRPPOH-UHFFFAOYSA-N
Compound name
2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2-tetrafluoro-3-methoxy-3-oxopropoxy)propoxy]propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

485.97842 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 486.98570 162.0
[M+Na]+ 508.96764 167.3
[M-H]- 484.97114 172.5
[M+NH4]+ 504.01224 174.2
[M+K]+ 524.94158 172.8
[M+H-H2O]+ 468.97568 153.6
[M+HCOO]- 530.97662 179.2
[M+CH3COO]- 544.99227 229.0
[M+Na-2H]- 506.95309 160.6
[M]+ 485.97787 161.4
[M]- 485.97897 161.4
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

No patent data available for this compound.