CID 139597302

Dpas n=13

Structural Information

Molecular Formula
C16HF31O
SMILES
C(=C(/C(F)(F)F)\F)(\C(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)F)/F
InChI
InChI=1S/C16HF31O/c17-1(2(18)4(21,22)23)3(19,20)5(24,25)6(26,27)7(28,29)8(30,31)9(32,33)10(34,35)11(36,37)12(38,39)13(40,41)14(42,43)15(44,45)16(46,47)48/h48H/b2-1+
InChIKey
UJPHLTJQINHILM-OWOJBTEDSA-N
Compound name
(E)-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,15,16,16,16-hentriacontafluorohexadec-14-en-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

797.95325 Da
Monoisotopic Mass

9.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 798.96053 152.5
[M+Na]+ 820.94247 152.5
[M+NH4]+ 815.98707 152.5
[M+K]+ 836.91641 152.5
[M-H]- 796.94597 152.5
[M+Na-2H]- 818.92792 152.5
[M]+ 797.95270 152.5
[M]- 797.95380 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.