CID 139596476

Dpas n=12

Structural Information

Molecular Formula
C15HF29O
SMILES
C(=C(/C(F)(F)F)\F)(\C(C(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)F)(F)F)/F
InChI
InChI=1S/C15HF29O/c16-1(2(17)4(20,21)22)3(18,19)5(23,24)6(25,26)7(27,28)8(29,30)9(31,32)10(33,34)11(35,36)12(37,38)13(39,40)14(41,42)15(43,44)45/h45H/b2-1+
InChIKey
OTGTXEZRTXPANW-OWOJBTEDSA-N
Compound name
(E)-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,14,15,15,15-nonacosafluoropentadec-13-en-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

747.9564 Da
Monoisotopic Mass

8.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 748.96368 152.5
[M+Na]+ 770.94562 152.5
[M+NH4]+ 765.99022 152.5
[M+K]+ 786.91956 152.5
[M-H]- 746.94912 152.5
[M+Na-2H]- 768.93107 152.5
[M]+ 747.95585 152.5
[M]- 747.95695 152.5
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.