CID 9953093

Enflicoxib

Structural Information

Molecular Formula
C16H12F5N3O2S
SMILES
C1C(N(N=C1C(F)(F)F)C2=CC=C(C=C2)S(=O)(=O)N)C3=C(C=C(C=C3)F)F
InChI
InChI=1S/C16H12F5N3O2S/c17-9-1-6-12(13(18)7-9)14-8-15(16(19,20)21)23-24(14)10-2-4-11(5-3-10)27(22,25)26/h1-7,14H,8H2,(H2,22,25,26)
InChIKey
ZZMJXWXXMAAPLI-UHFFFAOYSA-N
Compound name
4-[3-(2,4-difluorophenyl)-5-(trifluoromethyl)-3,4-dihydropyrazol-2-yl]benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

12
References

99
Patents

405.05704 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 406.06432 186.7
[M+Na]+ 428.04626 197.8
[M-H]- 404.04976 188.3
[M+NH4]+ 423.09086 196.9
[M+K]+ 444.02020 190.4
[M+H-H2O]+ 388.05430 174.4
[M+HCOO]- 450.05524 196.1
[M+CH3COO]- 464.07089 219.7
[M+Na-2H]- 426.03171 185.1
[M]+ 405.05649 182.0
[M]- 405.05759 182.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe