CID 2778641

1h,1h-nonadecafluoro-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
3
Annotation Hits

0
References

236
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 164.5
[M+Na]+ 570.96202 167.8
[M-H]- 546.96552 172.8
[M+NH4]+ 566.00662 174.1
[M+K]+ 586.93596 177.0
[M+H-H2O]+ 530.97006 153.0
[M+HCOO]- 592.97100 184.0
[M+CH3COO]- 606.98665 240.8
[M+Na-2H]- 568.94747 163.9
[M]+ 547.97225 163.1
[M]- 547.97335 163.1
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