CID 11261812

852527-45-8

Structural Information

Molecular Formula
C15H8F17NO4
SMILES
C1CC(=O)N(C1=O)OC(=O)CCC(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C15H8F17NO4/c16-8(17,4-3-7(36)37-33-5(34)1-2-6(33)35)9(18,19)10(20,21)11(22,23)12(24,25)13(26,27)14(28,29)15(30,31)32/h1-4H2
InChIKey
PFSIGNUPTCQGSG-UHFFFAOYSA-N
Compound name
(2,5-dioxopyrrolidin-1-yl) 4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecafluoroundecanoate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

7
Patents

589.0182 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 590.02548 180.7
[M+Na]+ 612.00742 189.9
[M-H]- 588.01092 191.5
[M+NH4]+ 607.05202 194.6
[M+K]+ 627.98136 195.5
[M+H-H2O]+ 572.01546 172.6
[M+HCOO]- 634.01640 204.0
[M+CH3COO]- 648.03205 248.2
[M+Na-2H]- 609.99287 179.3
[M]+ 589.01765 180.3
[M]- 589.01875 180.3
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