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
2
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]+ 448.982876 157.8
[M+Na]+ 470.964818 164.5
[M-H]- 446.968324 164.5
[M+NH4]+ 466.009423 166.3
[M+K]+ 486.938758 171.2
[M+H-H2O]+ 430.972860 166.1
[M+HCOO]- 492.973801 173.8
[M+CH3COO]- 506.989451 227.2
[M+Na-2H]- 468.950266 180.9
[M]+ 447.97505142 154.4
[M]- 447.97614858 154.4
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.