CID 4079273

2,2,3,3,4,4,4-heptafluoro-n-[(4-sulfamoylphenyl)methyl]butanamide

Structural Information

Molecular Formula
C11H9F7N2O3S
SMILES
C1=CC(=CC=C1CNC(=O)C(C(C(F)(F)F)(F)F)(F)F)S(=O)(=O)N
InChI
InChI=1S/C11H9F7N2O3S/c12-9(13,10(14,15)11(16,17)18)8(21)20-5-6-1-3-7(4-2-6)24(19,22)23/h1-4H,5H2,(H,20,21)(H2,19,22,23)
InChIKey
VABWMMCIAMBZFP-UHFFFAOYSA-N
Compound name
2,2,3,3,4,4,4-heptafluoro-N-[(4-sulfamoylphenyl)methyl]butanamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

382.02222 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 383.02950 171.5
[M+Na]+ 405.01144 178.7
[M-H]- 381.01494 165.4
[M+NH4]+ 400.05604 182.0
[M+K]+ 420.98538 174.2
[M+H-H2O]+ 365.01948 159.5
[M+HCOO]- 427.02042 177.8
[M+CH3COO]- 441.03607 215.9
[M+Na-2H]- 402.99689 174.2
[M]+ 382.02167 162.2
[M]- 382.02277 162.2
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.