CID 9951856

331943-04-5

Structural Information

Molecular Formula
C17H14F3N3O2S
SMILES
CC1=CC=C(C=C1)C2=NN(C(=C2)C(F)(F)F)C3=CC=C(C=C3)S(=O)(=O)N
InChI
InChI=1S/C17H14F3N3O2S/c1-11-2-4-12(5-3-11)15-10-16(17(18,19)20)23(22-15)13-6-8-14(9-7-13)26(21,24)25/h2-10H,1H3,(H2,21,24,25)
InChIKey
LGIMTMFJBCXYRP-UHFFFAOYSA-N
Compound name
4-[3-(4-methylphenyl)-5-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

20
Patents

381.0759 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 382.08318 186.2
[M+Na]+ 404.06512 195.6
[M+NH4]+ 399.10972 190.0
[M+K]+ 420.03906 190.7
[M-H]- 380.06862 185.2
[M+Na-2H]- 402.05057 191.6
[M]+ 381.07535 187.4
[M]- 381.07645 187.4
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

patents stripe