CID 71310459

N-succinimidyl 4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluorononanoate

Structural Information

Molecular Formula
C13H8F13NO4
SMILES
C1CC(=O)N(C1=O)OC(=O)CCC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C13H8F13NO4/c14-8(15,4-3-7(30)31-27-5(28)1-2-6(27)29)9(16,17)10(18,19)11(20,21)12(22,23)13(24,25)26/h1-4H2
InChIKey
ATDSDUMFZUDFRA-UHFFFAOYSA-N
Compound name
(2,5-dioxopyrrolidin-1-yl) 4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluorononanoate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

1
Patents

489.02457 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 490.03185 192.5
[M+Na]+ 512.01379 200.9
[M-H]- 488.01729 180.2
[M+NH4]+ 507.05839 178.2
[M+K]+ 527.98773 197.8
[M+H-H2O]+ 472.02183 178.9
[M+HCOO]- 534.02277 190.8
[M+CH3COO]- 548.03842 232.6
[M+Na-2H]- 509.99924 193.1
[M]+ 489.02402 174.7
[M]- 489.02512 174.7
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