CID 138395750

Hexane, 1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluoro-1-(pentafluoroethoxy)-

Structural Information

Molecular Formula
C8F18O
SMILES
C(C(C(C(F)(F)F)(F)F)(F)F)(C(C(OC(C(F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C8F18O/c9-1(10,3(13,14)5(17,18)19)2(11,12)4(15,16)7(23,24)27-8(25,26)6(20,21)22
InChIKey
YMQHIOLQSRSEFT-UHFFFAOYSA-N
Compound name
1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluoro-6-(1,1,2,2,2-pentafluoroethoxy)hexane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

2
Patents

453.9662 Da
Monoisotopic Mass

6.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 454.97348 154.3
[M+Na]+ 476.95542 160.4
[M-H]- 452.95892 160.2
[M+NH4]+ 472.00002 163.0
[M+K]+ 492.92936 167.6
[M+H-H2O]+ 436.96346 171.6
[M+HCOO]- 498.96440 175.8
[M+CH3COO]- 512.98005 230.0
[M+Na-2H]- 474.94087 189.9
[M]+ 453.96565 153.1
[M]- 453.96675 153.1
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