CID 139597715

Dpas n=6

Structural Information

Molecular Formula
C9HF17O
SMILES
C(=C(/C(F)(F)F)\F)(\C(C(C(C(C(C(O)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)/F
InChI
InChI=1S/C9HF17O/c10-1(2(11)4(14,15)16)3(12,13)5(17,18)6(19,20)7(21,22)8(23,24)9(25,26)27/h27H/b2-1+
InChIKey
WRCGUAZSSNZDNP-OWOJBTEDSA-N
Compound name
(E)-1,1,2,2,3,3,4,4,5,5,6,6,7,8,9,9,9-heptadecafluoronon-7-en-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

447.9756 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 448.98288 161.8
[M+Na]+ 470.96482 161.9
[M+NH4]+ 466.00942 161.6
[M+K]+ 486.93876 162.2
[M-H]- 446.96832 160.4
[M+Na-2H]- 468.95027 162.1
[M]+ 447.97505 161.4
[M]- 447.97615 161.4
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

No patent data available for this compound.