CID 2778641

1h,1h-perfluoro-3,6,9-trioxatridecan-1-ol

Structural Information

Molecular Formula
C10H3F19O4
SMILES
C(C(OC(C(OC(C(OC(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)O
InChI
InChI=1S/C10H3F19O4/c11-2(12,1-30)31-7(22,23)8(24,25)33-10(28,29)9(26,27)32-6(20,21)4(15,16)3(13,14)5(17,18)19/h30H,1H2
InChIKey
WDIFKQOHZPTQIR-UHFFFAOYSA-N
Compound name
2,2-difluoro-2-[1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-(1,1,2,2,3,3,4,4,4-nonafluorobutoxy)ethoxy]ethoxy]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

232
Patents

547.9728 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 548.98008 159.9
[M+Na]+ 570.96202 160.0
[M+NH4]+ 566.00662 159.9
[M+K]+ 586.93596 160.6
[M-H]- 546.96552 159.3
[M+Na-2H]- 568.94747 160.5
[M]+ 547.97225 159.7
[M]- 547.97335 159.7
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