CID 139594784

Dpas n=11

Structural Information

Molecular Formula
C14HF27O
SMILES
C(=C(/C(F)(F)F)\F)(\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
InChI
InChI=1S/C14HF27O/c15-1(2(16)4(19,20)21)3(17,18)5(22,23)6(24,25)7(26,27)8(28,29)9(30,31)10(32,33)11(34,35)12(36,37)13(38,39)14(40,41)42/h42H/b2-1+
InChIKey
DRDORMCNZLUQQO-OWOJBTEDSA-N
Compound name
(E)-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,13,14,14,14-heptacosafluorotetradec-12-en-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

697.9596 Da
Monoisotopic Mass

8.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 698.96688 152.6
[M+Na]+ 720.94882 152.6
[M+NH4]+ 715.99342 152.6
[M+K]+ 736.92276 152.6
[M-H]- 696.95232 152.6
[M+Na-2H]- 718.93427 152.6
[M]+ 697.95905 152.6
[M]- 697.96015 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.