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

147
Patents

431.98425 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 432.991526 149.6
[M+Na]+ 454.973468 154.6
[M-H]- 430.976974 154.6
[M+NH4]+ 450.018073 156.6
[M+K]+ 470.947408 159.7
[M+H-H2O]+ 414.981510 165.8
[M+HCOO]- 476.982451 170.2
[M+CH3COO]- 490.998101 223.0
[M+Na-2H]- 452.958916 183.9
[M]+ 431.98370142 148.3
[M]- 431.98479858 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