CID 71428048

3-benzamido-n-(2,2,3,3,4,4,4-heptafluorobutyl)benzamide

Structural Information

Molecular Formula
C18H13F7N2O2
SMILES
C1=CC=C(C=C1)C(=O)NC2=CC=CC(=C2)C(=O)NCC(C(C(F)(F)F)(F)F)(F)F
InChI
InChI=1S/C18H13F7N2O2/c19-16(20,17(21,22)18(23,24)25)10-26-14(28)12-7-4-8-13(9-12)27-15(29)11-5-2-1-3-6-11/h1-9H,10H2,(H,26,28)(H,27,29)
InChIKey
UFNWGGMBQYWKGS-UHFFFAOYSA-N
Compound name
3-benzamido-N-(2,2,3,3,4,4,4-heptafluorobutyl)benzamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

422.08652 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 423.09380 189.1
[M+Na]+ 445.07574 194.9
[M-H]- 421.07924 186.4
[M+NH4]+ 440.12034 197.7
[M+K]+ 461.04968 189.7
[M+H-H2O]+ 405.08378 175.4
[M+HCOO]- 467.08472 200.5
[M+CH3COO]- 481.10037 227.6
[M+Na-2H]- 443.06119 191.4
[M]+ 422.08597 178.4
[M]- 422.08707 178.4
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.