CID 71317463

462996-01-6

Structural Information

Molecular Formula
C20H12F26N2O4
SMILES
C(CC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)COC(=O)N=NC(=O)OCCCC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C20H12F26N2O4/c21-9(22,11(25,26)13(29,30)15(33,34)17(37,38)19(41,42)43)3-1-5-51-7(49)47-48-8(50)52-6-2-4-10(23,24)12(27,28)14(31,32)16(35,36)18(39,40)20(44,45)46/h1-6H2
InChIKey
DYPPJKHPJMGHKW-UHFFFAOYSA-N
Compound name
4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluorononyl N-(4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluorononoxycarbonylimino)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

119
Patents

838.0382 Da
Monoisotopic Mass

11.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 839.04548 152.6
[M+Na]+ 861.02742 152.6
[M+NH4]+ 856.07202 152.6
[M+K]+ 877.00136 152.6
[M-H]- 837.03092 152.6
[M+Na-2H]- 859.01287 152.6
[M]+ 838.03765 152.6
[M]- 838.03875 152.6
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

patents stripe