CID 116513

64058-75-9

Structural Information

Molecular Formula
C15H12ClF3N2O3S
SMILES
CC1=CC(=C(C=C1)Cl)S(=O)(=O)NC2=CC=C(C=C2)NC(=O)C(F)(F)F
InChI
InChI=1S/C15H12ClF3N2O3S/c1-9-2-7-12(16)13(8-9)25(23,24)21-11-5-3-10(4-6-11)20-14(22)15(17,18)19/h2-8,21H,1H3,(H,20,22)
InChIKey
FUARUYLLTUILFS-UHFFFAOYSA-N
Compound name
N-[4-[(2-chloro-5-methylphenyl)sulfonylamino]phenyl]-2,2,2-trifluoroacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

392.02094 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 393.02822 180.5
[M+Na]+ 415.01016 189.3
[M-H]- 391.01366 183.9
[M+NH4]+ 410.05476 192.6
[M+K]+ 430.98410 182.7
[M+H-H2O]+ 375.01820 171.4
[M+HCOO]- 437.01914 190.7
[M+CH3COO]- 451.03479 218.1
[M+Na-2H]- 412.99561 183.2
[M]+ 392.02039 181.2
[M]- 392.02149 181.2
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.