CID 2778161

1h,1h-tridecafluoro-3,6,9-trioxadecan-1-ol

Structural Information

Molecular Formula
C7H3F13O4
SMILES
C(C(OC(C(OC(C(OC(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)O
InChI
InChI=1S/C7H3F13O4/c8-2(9,1-21)22-3(10,11)4(12,13)23-5(14,15)6(16,17)24-7(18,19)20/h21H,1H2
InChIKey
PGUFRYZQAPBGDW-UHFFFAOYSA-N
Compound name
2,2-difluoro-2-[1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethoxy]ethoxy]ethanol
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

235
Patents

397.98236 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 398.98964 171.0
[M+Na]+ 420.97158 179.9
[M-H]- 396.97508 148.1
[M+NH4]+ 416.01618 150.5
[M+K]+ 436.94552 178.2
[M+H-H2O]+ 380.97962 157.7
[M+HCOO]- 442.98056 165.1
[M+CH3COO]- 456.99621 215.8
[M+Na-2H]- 418.95703 175.7
[M]+ 397.98181 143.1
[M]- 397.98291 143.1
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