CID 98453490

Dtxsid10896678

Structural Information

Molecular Formula
C12H2F22
SMILES
C(=C/C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)\C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C12H2F22/c13-3(14,1-2-4(15,16)6(19,20)9(25,26)11(29,30)31)5(17,18)7(21,22)8(23,24)10(27,28)12(32,33)34/h1-2H/b2-1+
InChIKey
NNVSZWKJFYBJPR-OWOJBTEDSA-N
Compound name
(E)-1,1,1,2,2,3,3,4,4,7,7,8,8,9,9,10,10,11,11,12,12,12-docosafluorododec-5-ene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

563.9805 Da
Monoisotopic Mass

8.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 564.98778 175.5
[M+Na]+ 586.96972 180.9
[M-H]- 562.97322 183.4
[M+NH4]+ 582.01432 185.5
[M+K]+ 602.94366 191.8
[M+H-H2O]+ 546.97776 163.8
[M+HCOO]- 608.97870 195.6
[M+CH3COO]- 622.99435 246.5
[M+Na-2H]- 584.95517 176.7
[M]+ 563.97995 173.5
[M]- 563.98105 173.5
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.