CID 2736150

1h,1h-2,5-bis(trifluoromethyl)-3,6-dioxa-perfluorononanol

Structural Information

Molecular Formula
C9H3F17O3
SMILES
C(C(C(F)(F)F)(OC(C(C(F)(F)F)(OC(C(C(F)(F)F)(F)F)(F)F)F)(F)F)F)O
InChI
InChI=1S/C9H3F17O3/c10-2(1-27,5(14,15)16)28-9(25,26)4(13,7(20,21)22)29-8(23,24)3(11,12)6(17,18)19/h27H,1H2
InChIKey
URIUSGOUQUQAMG-UHFFFAOYSA-N
Compound name
2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]propan-1-ol
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

96
Patents

481.98108 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 482.98836 157.2
[M+Na]+ 504.97030 161.7
[M-H]- 480.97380 163.9
[M+NH4]+ 500.01490 165.3
[M+K]+ 520.94424 168.8
[M+H-H2O]+ 464.97834 146.6
[M+HCOO]- 526.97928 177.5
[M+CH3COO]- 540.99493 230.3
[M+Na-2H]- 502.95575 156.5
[M]+ 481.98053 155.6
[M]- 481.98163 155.6
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