CID 9865808

170569-86-5

Structural Information

Molecular Formula
C16H11ClF3N3O2S
SMILES
C1=CC(=CC=C1C2=CC(=NN2C3=CC=C(C=C3)S(=O)(=O)N)C(F)(F)F)Cl
InChI
InChI=1S/C16H11ClF3N3O2S/c17-11-3-1-10(2-4-11)14-9-15(16(18,19)20)22-23(14)12-5-7-13(8-6-12)26(21,24)25/h1-9H,(H2,21,24,25)
InChIKey
NSQNZEUFHPTJME-UHFFFAOYSA-N
Compound name
4-[5-(4-chlorophenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

162
References

746
Patents

401.02127 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 402.02855 186.6
[M+Na]+ 424.01049 198.4
[M-H]- 400.01399 191.0
[M+NH4]+ 419.05509 197.8
[M+K]+ 439.98443 190.3
[M+H-H2O]+ 384.01853 176.3
[M+HCOO]- 446.01947 195.0
[M+CH3COO]- 460.03512 216.2
[M+Na-2H]- 421.99594 187.2
[M]+ 401.02072 187.2
[M]- 401.02182 187.2
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