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]+ 510.966876 161.5
[M+Na]+ 532.948818 166.0
[M-H]- 508.952324 171.0
[M+NH4]+ 527.993423 173.1
[M+K]+ 548.922758 172.4
[M+H-H2O]+ 492.956860 153.3
[M+HCOO]- 554.957801 177.6
[M+CH3COO]- 568.973451 233.6
[M+Na-2H]- 530.934266 160.3
[M]+ 509.95905142 159.4
[M]- 509.96014858 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.