CID 45792047

2,2,2-trifluoroethyl n-[(4-sulfamoylphenyl)methyl]carbamate

Structural Information

Molecular Formula
C10H11F3N2O4S
SMILES
C1=CC(=CC=C1CNC(=O)OCC(F)(F)F)S(=O)(=O)N
InChI
InChI=1S/C10H11F3N2O4S/c11-10(12,13)6-19-9(16)15-5-7-1-3-8(4-2-7)20(14,17)18/h1-4H,5-6H2,(H,15,16)(H2,14,17,18)
InChIKey
WRFNKRQIINADQG-UHFFFAOYSA-N
Compound name
2,2,2-trifluoroethyl N-[(4-sulfamoylphenyl)methyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

312.03915 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.04643 165.0
[M+Na]+ 335.02837 169.4
[M+NH4]+ 330.07297 167.5
[M+K]+ 351.00231 165.9
[M-H]- 311.03187 159.8
[M+Na-2H]- 333.01382 166.2
[M]+ 312.03860 163.9
[M]- 312.03970 163.9
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.