CID 551367

Diisopentyl 2-[(2,2,3,3,4,4,4-heptafluorobutanoyl)amino]succinate

Structural Information

Molecular Formula
C18H26F7NO5
SMILES
CC(C)CCOC(=O)CC(C(=O)OCCC(C)C)NC(=O)C(C(C(F)(F)F)(F)F)(F)F
InChI
InChI=1S/C18H26F7NO5/c1-10(2)5-7-30-13(27)9-12(14(28)31-8-6-11(3)4)26-15(29)16(19,20)17(21,22)18(23,24)25/h10-12H,5-9H2,1-4H3,(H,26,29)
InChIKey
VIFUJIXWSIVXKN-UHFFFAOYSA-N
Compound name
bis(3-methylbutyl) 2-(2,2,3,3,4,4,4-heptafluorobutanoylamino)butanedioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

469.16992 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 470.17720 205.9
[M+Na]+ 492.15914 204.1
[M+NH4]+ 487.20374 241.6
[M+K]+ 508.13308 203.4
[M-H]- 468.16264 194.7
[M+Na-2H]- 490.14459 199.7
[M]+ 469.16937 201.7
[M]- 469.17047 201.7
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

No patent data available for this compound.