CID 84333

14295-72-8

Structural Information

Molecular Formula
C16H15ClN2O2S
SMILES
CS(=O)(=O)C1=CC=C(C=C1)N2CCC(=N2)C3=CC=C(C=C3)Cl
InChI
InChI=1S/C16H15ClN2O2S/c1-22(20,21)15-8-6-14(7-9-15)19-11-10-16(18-19)12-2-4-13(17)5-3-12/h2-9H,10-11H2,1H3
InChIKey
PEQYZILRIJSUBO-UHFFFAOYSA-N
Compound name
5-(4-chlorophenyl)-2-(4-methylsulfonylphenyl)-3,4-dihydropyrazole
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

42
Patents

334.0543 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.06158 175.5
[M+Na]+ 357.04352 190.8
[M+NH4]+ 352.08812 183.6
[M+K]+ 373.01746 182.7
[M-H]- 333.04702 179.9
[M+Na-2H]- 355.02897 184.5
[M]+ 334.05375 179.8
[M]- 334.05485 179.8
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