CID 3065977

3-(4-chlorophenyl)-5-(3,4-dichlorophenyl)-1-(2-methylphenyl)-2-pyrazoline

Structural Information

Molecular Formula
C22H17Cl3N2
SMILES
CC1=CC=CC=C1N2C(CC(=N2)C3=CC=C(C=C3)Cl)C4=CC(=C(C=C4)Cl)Cl
InChI
InChI=1S/C22H17Cl3N2/c1-14-4-2-3-5-21(14)27-22(16-8-11-18(24)19(25)12-16)13-20(26-27)15-6-9-17(23)10-7-15/h2-12,22H,13H2,1H3
InChIKey
VENATUBTBGFODT-UHFFFAOYSA-N
Compound name
5-(4-chlorophenyl)-3-(3,4-dichlorophenyl)-2-(2-methylphenyl)-3,4-dihydropyrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

414.04575 Da
Monoisotopic Mass

7.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 415.05303 197.9
[M+Na]+ 437.03497 208.7
[M-H]- 413.03847 205.6
[M+NH4]+ 432.07957 208.7
[M+K]+ 453.00891 198.9
[M+H-H2O]+ 397.04301 186.9
[M+HCOO]- 459.04395 202.8
[M+CH3COO]- 473.05960 206.7
[M+Na-2H]- 435.02042 194.9
[M]+ 414.04520 200.9
[M]- 414.04630 200.9
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

No patent data available for this compound.