CID 2778631

1h,1h-perfluoro-3,6-dioxadecan-1-ol

Structural Information

Molecular Formula
C8H3F15O3
SMILES
C(C(OC(C(OC(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)O
InChI
InChI=1S/C8H3F15O3/c9-2(10,1-24)25-7(20,21)8(22,23)26-6(18,19)4(13,14)3(11,12)5(15,16)17/h24H,1H2
InChIKey
ZPLAXWXACBJHSW-UHFFFAOYSA-N
Compound name
2,2-difluoro-2-[1,1,2,2-tetrafluoro-2-(1,1,2,2,3,3,4,4,4-nonafluorobutoxy)ethoxy]ethanol
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

215
Patents

431.98425 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 432.99153 149.6
[M+Na]+ 454.97347 154.6
[M-H]- 430.97697 154.6
[M+NH4]+ 450.01807 156.6
[M+K]+ 470.94741 159.7
[M+H-H2O]+ 414.98151 165.8
[M+HCOO]- 476.98245 170.2
[M+CH3COO]- 490.99810 223.0
[M+Na-2H]- 452.95892 183.9
[M]+ 431.98370 148.3
[M]- 431.98480 148.3
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