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 161.6
[M+Na]+ 335.02837 168.5
[M-H]- 311.03187 160.6
[M+NH4]+ 330.07297 175.4
[M+K]+ 351.00231 165.1
[M+H-H2O]+ 295.03641 152.4
[M+HCOO]- 357.03735 175.8
[M+CH3COO]- 371.05300 202.2
[M+Na-2H]- 333.01382 164.6
[M]+ 312.03860 159.8
[M]- 312.03970 159.8
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.