CID 14246820

1,1,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-tetracosafluorododec-1-ene

Structural Information

Molecular Formula
C12F24
SMILES
C(=C(F)F)(C(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)F
InChI
InChI=1S/C12F24/c13-1(2(14)15)3(16,17)4(18,19)5(20,21)6(22,23)7(24,25)8(26,27)9(28,29)10(30,31)11(32,33)12(34,35)36
InChIKey
MHQSODYIEVVICX-UHFFFAOYSA-N
Compound name
1,1,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-tetracosafluorododec-1-ene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

347
Patents

599.9617 Da
Monoisotopic Mass

7.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 600.968976 183.5
[M+Na]+ 622.950918 189.3
[M-H]- 598.954424 193.3
[M+NH4]+ 617.995523 195.5
[M+K]+ 638.924858 201.2
[M+H-H2O]+ 582.958960 173.0
[M+HCOO]- 644.959901 199.2
[M+CH3COO]- 658.975551 251.8
[M+Na-2H]- 620.936366 185.5
[M]+ 599.96115142 179.9
[M]- 599.96224858 179.9
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