CID 121692

1h,1h,2h-perfluoro-1-dodecene

Structural Information

Molecular Formula
C12H3F21
SMILES
C=CC(C(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C12H3F21/c1-2-3(13,14)4(15,16)5(17,18)6(19,20)7(21,22)8(23,24)9(25,26)10(27,28)11(29,30)12(31,32)33/h2H,1H2
InChIKey
UCHSAVGOZUCXHC-UHFFFAOYSA-N
Compound name
3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-henicosafluorododec-1-ene
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

310
Patents

545.9899 Da
Monoisotopic Mass

8.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 546.99718 174.3
[M+Na]+ 568.97912 179.7
[M-H]- 544.98262 182.3
[M+NH4]+ 564.02372 184.4
[M+K]+ 584.95306 190.6
[M+H-H2O]+ 528.98716 162.3
[M+HCOO]- 590.98810 194.7
[M+CH3COO]- 605.00375 245.4
[M+Na-2H]- 566.96457 175.3
[M]+ 545.98935 173.2
[M]- 545.99045 173.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe