CID 3477783

N,n'-(methylenedi-1,4-phenylene)bis(perfluorobutanamide)

Structural Information

Molecular Formula
C21H12F14N2O2
SMILES
C1=CC(=CC=C1CC2=CC=C(C=C2)NC(=O)C(C(C(F)(F)F)(F)F)(F)F)NC(=O)C(C(C(F)(F)F)(F)F)(F)F
InChI
InChI=1S/C21H12F14N2O2/c22-16(23,18(26,27)20(30,31)32)14(38)36-12-5-1-10(2-6-12)9-11-3-7-13(8-4-11)37-15(39)17(24,25)19(28,29)21(33,34)35/h1-8H,9H2,(H,36,38)(H,37,39)
InChIKey
FMMYORNQKAYREA-UHFFFAOYSA-N
Compound name
2,2,3,3,4,4,4-heptafluoro-N-[4-[[4-(2,2,3,3,4,4,4-heptafluorobutanoylamino)phenyl]methyl]phenyl]butanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

590.0675 Da
Monoisotopic Mass

7.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 591.07478 173.6
[M+Na]+ 613.05672 173.5
[M+NH4]+ 608.10132 172.7
[M+K]+ 629.03066 173.0
[M-H]- 589.06022 170.4
[M+Na-2H]- 611.04217 173.0
[M]+ 590.06695 172.5
[M]- 590.06805 172.5
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.