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

31
Patents

381.0759 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 382.083176 185.1
[M+Na]+ 404.065118 196.0
[M-H]- 380.068624 189.4
[M+NH4]+ 399.109723 196.3
[M+K]+ 420.039058 189.0
[M+H-H2O]+ 364.073160 174.3
[M+HCOO]- 426.074101 197.8
[M+CH3COO]- 440.089751 215.6
[M+Na-2H]- 402.050566 185.6
[M]+ 381.07535142 183.9
[M]- 381.07644858 183.9
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

patents stripe