CID 139595997

Dpas n=10

Structural Information

Molecular Formula
C13HF25O
SMILES
C(=C(/C(F)(F)F)\F)(\C(C(C(C(C(C(C(C(C(C(O)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)/F
InChI
InChI=1S/C13HF25O/c14-1(2(15)4(18,19)20)3(16,17)5(21,22)6(23,24)7(25,26)8(27,28)9(29,30)10(31,32)11(33,34)12(35,36)13(37,38)39/h39H/b2-1+
InChIKey
LXHRQQQITFNIOV-OWOJBTEDSA-N
Compound name
(E)-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,12,13,13,13-pentacosafluorotridec-11-en-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

647.9628 Da
Monoisotopic Mass

7.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 648.97008 152.6
[M+Na]+ 670.95202 152.6
[M+NH4]+ 665.99662 152.6
[M+K]+ 686.92596 152.6
[M-H]- 646.95552 152.6
[M+Na-2H]- 668.93747 166.2
[M]+ 647.96225 152.6
[M]- 647.96335 152.6
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.