CID 2776038

97571-69-2

Structural Information

Molecular Formula
C10F20O5
SMILES
C1(C(OC(C(OC(C(OC(C(OC(C(O1)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C10F20O5/c11-1(12)2(13,14)32-5(19,20)6(21,22)34-9(27,28)10(29,30)35-8(25,26)7(23,24)33-4(17,18)3(15,16)31-1
InChIKey
CAKZCCWLOCDNJK-UHFFFAOYSA-N
Compound name
2,2,3,3,5,5,6,6,8,8,9,9,11,11,12,12,14,14,15,15-icosafluoro-1,4,7,10,13-pentaoxacyclopentadecane
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

23
References

482
Patents

579.9426 Da
Monoisotopic Mass

6.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 580.94988 168.9
[M+Na]+ 602.93182 188.6
[M-H]- 578.93532 160.1
[M+NH4]+ 597.97642 182.3
[M+K]+ 618.90576 191.9
[M+H-H2O]+ 562.93986 163.5
[M+HCOO]- 624.94080 164.7
[M+CH3COO]- 638.95645 240.4
[M+Na-2H]- 600.91727 175.1
[M]+ 579.94205 153.4
[M]- 579.94315 153.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe