CID 3486369

2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoro-n-[(4-sulfamoylphenyl)methyl]heptanamide

Structural Information

Molecular Formula
C14H9F13N2O3S
SMILES
C1=CC(=CC=C1CNC(=O)C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)S(=O)(=O)N
InChI
InChI=1S/C14H9F13N2O3S/c15-9(16,8(30)29-5-6-1-3-7(4-2-6)33(28,31)32)10(17,18)11(19,20)12(21,22)13(23,24)14(25,26)27/h1-4H,5H2,(H,29,30)(H2,28,31,32)
InChIKey
CWSCAZHIVRUESE-UHFFFAOYSA-N
Compound name
2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoro-N-[(4-sulfamoylphenyl)methyl]heptanamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

532.01263 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 533.01991 198.5
[M+Na]+ 555.00185 205.2
[M-H]- 531.00535 186.1
[M+NH4]+ 550.04645 174.1
[M+K]+ 570.97579 200.5
[M+H-H2O]+ 515.00989 182.7
[M+HCOO]- 577.01083 186.2
[M+CH3COO]- 591.02648 241.7
[M+Na-2H]- 552.98730 201.4
[M]+ 532.01208 180.0
[M]- 532.01318 180.0
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.