CID 44480565

1193009-98-1

Structural Information

Molecular Formula
C9H11F9O
SMILES
CCCOCCC(C(C(C(F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C9H11F9O/c1-2-4-19-5-3-6(10,11)7(12,13)8(14,15)9(16,17)18/h2-5H2,1H3
InChIKey
SWCPWWJLVFIKKT-UHFFFAOYSA-N
Compound name
1,1,1,2,2,3,3,4,4-nonafluoro-6-propoxyhexane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

306.06662 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.07390 187.9
[M+Na]+ 329.05584 188.8
[M+NH4]+ 324.10044 187.4
[M+K]+ 345.02978 185.7
[M-H]- 305.05934 179.7
[M+Na-2H]- 327.04129 184.7
[M]+ 306.06607 185.4
[M]- 306.06717 185.4
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