CID 139595449

Dpas n=9

Structural Information

Molecular Formula
C12HF23O
SMILES
C(=C(/C(F)(F)F)\F)(\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
InChI
InChI=1S/C12HF23O/c13-1(2(14)4(17,18)19)3(15,16)5(20,21)6(22,23)7(24,25)8(26,27)9(28,29)10(30,31)11(32,33)12(34,35)36/h36H/b2-1+
InChIKey
IRCBCQHSEHAVGL-OWOJBTEDSA-N
Compound name
(E)-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,11,12,12,12-tricosafluorododec-10-en-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

597.966 Da
Monoisotopic Mass

6.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 598.97328 163.1
[M+Na]+ 620.95522 163.2
[M+NH4]+ 615.99982 163.2
[M+K]+ 636.92916 163.6
[M-H]- 596.95872 163.1
[M+Na-2H]- 618.94067 163.6
[M]+ 597.96545 163.1
[M]- 597.96655 163.1
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.