CID 4089036

2,2,3,3,4,4,5,5,5-nonafluoro-n-[(4-sulfamoylphenyl)methyl]pentanamide

Structural Information

Molecular Formula
C12H9F9N2O3S
SMILES
C1=CC(=CC=C1CNC(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)S(=O)(=O)N
InChI
InChI=1S/C12H9F9N2O3S/c13-9(14,10(15,16)11(17,18)12(19,20)21)8(24)23-5-6-1-3-7(4-2-6)27(22,25)26/h1-4H,5H2,(H,23,24)(H2,22,25,26)
InChIKey
GAVHLPDPYHDYNF-UHFFFAOYSA-N
Compound name
2,2,3,3,4,4,5,5,5-nonafluoro-N-[(4-sulfamoylphenyl)methyl]pentanamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

432.019 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 433.02628 180.3
[M+Na]+ 455.00822 187.3
[M-H]- 431.01172 171.8
[M+NH4]+ 450.05282 188.6
[M+K]+ 470.98216 182.6
[M+H-H2O]+ 415.01626 166.9
[M+HCOO]- 477.01720 182.8
[M+CH3COO]- 491.03285 224.8
[M+Na-2H]- 452.99367 183.0
[M]+ 432.01845 168.0
[M]- 432.01955 168.0
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.