CID 551367

75743-06-5

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
2
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 193.0
[M+Na]+ 492.15914 203.3
[M-H]- 468.16264 200.8
[M+NH4]+ 487.20374 206.6
[M+K]+ 508.13308 204.7
[M+H-H2O]+ 452.16718 191.8
[M+HCOO]- 514.16812 197.0
[M+CH3COO]- 528.18377 237.2
[M+Na-2H]- 490.14459 188.5
[M]+ 469.16937 189.9
[M]- 469.17047 189.9
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.