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
2
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 181.6
[M+Na]+ 620.95522 186.3
[M-H]- 596.95872 191.8
[M+NH4]+ 615.99982 192.6
[M+K]+ 636.92916 198.2
[M+H-H2O]+ 580.96326 170.0
[M+HCOO]- 642.96420 196.4
[M+CH3COO]- 656.97985 249.3
[M+Na-2H]- 618.94067 182.6
[M]+ 597.96545 177.9
[M]- 597.96655 177.9
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.