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]+ 448.98288 157.8
[M+Na]+ 470.96482 164.5
[M-H]- 446.96832 164.5
[M+NH4]+ 466.00942 166.3
[M+K]+ 486.93876 171.2
[M+H-H2O]+ 430.97286 166.1
[M+HCOO]- 492.97380 173.8
[M+CH3COO]- 506.98945 227.2
[M+Na-2H]- 468.95027 180.9
[M]+ 447.97505 154.4
[M]- 447.97615 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.