CID 99649014

Dtxsid40896686

Structural Information

Molecular Formula
C16H2F30
SMILES
C(=C/C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)\C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C16H2F30/c17-3(18,5(21,22)7(25,26)9(29,30)11(33,34)13(37,38)15(41,42)43)1-2-4(19,20)6(23,24)8(27,28)10(31,32)12(35,36)14(39,40)16(44,45)46/h1-2H/b2-1+
InChIKey
CQYGHSAZXARHMT-OWOJBTEDSA-N
Compound name
(E)-1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,10,10,11,11,12,12,13,13,14,14,15,15,16,16,16-triacontafluorohexadec-8-ene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

763.9678 Da
Monoisotopic Mass

10.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 764.97508 152.5
[M+Na]+ 786.95702 152.5
[M+NH4]+ 782.00162 152.5
[M+K]+ 802.93096 152.5
[M-H]- 762.96052 152.5
[M+Na-2H]- 784.94247 152.5
[M]+ 763.96725 152.5
[M]- 763.96835 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.