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

30
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 185.1
[M+Na]+ 404.06512 196.0
[M-H]- 380.06862 189.4
[M+NH4]+ 399.10972 196.3
[M+K]+ 420.03906 189.0
[M+H-H2O]+ 364.07316 174.3
[M+HCOO]- 426.07410 197.8
[M+CH3COO]- 440.08975 215.6
[M+Na-2H]- 402.05057 185.6
[M]+ 381.07535 183.9
[M]- 381.07645 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