CID 162396624

Dtxsid501034207

Structural Information

Molecular Formula
C9H2F16O6
SMILES
C(C(C(=O)O)(F)F)(C(OC(C(OC(OC(OC(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)F
InChI
InChI=1S/C9H2F16O6/c10-1(3(11,12)2(26)27)4(13,14)28-5(15,16)6(17,18)29-8(22,23)31-9(24,25)30-7(19,20)21/h1H,(H,26,27)
InChIKey
ZAQSWDCPRPUDMX-UHFFFAOYSA-N
Compound name
4-[2-[[difluoro(trifluoromethoxy)methoxy]-difluoromethoxy]-1,1,2,2-tetrafluoroethoxy]-2,2,3,4,4-pentafluorobutanoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

509.9596 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 510.96688 161.5
[M+Na]+ 532.94882 166.0
[M-H]- 508.95232 171.0
[M+NH4]+ 527.99342 173.1
[M+K]+ 548.92276 172.4
[M+H-H2O]+ 492.95686 153.3
[M+HCOO]- 554.95780 177.6
[M+CH3COO]- 568.97345 233.6
[M+Na-2H]- 530.93427 160.3
[M]+ 509.95905 159.4
[M]- 509.96015 159.4
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.