CID 3065976

5-(2-chlorophenyl)-3-(4-chlorophenyl)-1-(2,6-dichlorophenyl)-2-pyrazoline

Structural Information

Molecular Formula
C21H14Cl4N2
SMILES
C1C(N(N=C1C2=CC=C(C=C2)Cl)C3=C(C=CC=C3Cl)Cl)C4=CC=CC=C4Cl
InChI
InChI=1S/C21H14Cl4N2/c22-14-10-8-13(9-11-14)19-12-20(15-4-1-2-5-16(15)23)27(26-19)21-17(24)6-3-7-18(21)25/h1-11,20H,12H2
InChIKey
VEXLQQVINIBFCH-UHFFFAOYSA-N
Compound name
3-(2-chlorophenyl)-5-(4-chlorophenyl)-2-(2,6-dichlorophenyl)-3,4-dihydropyrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

433.99112 Da
Monoisotopic Mass

7.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 434.99840 199.4
[M+Na]+ 456.98034 209.8
[M-H]- 432.98384 205.0
[M+NH4]+ 452.02494 209.0
[M+K]+ 472.95428 200.7
[M+H-H2O]+ 416.98838 188.5
[M+HCOO]- 478.98932 198.9
[M+CH3COO]- 493.00497 206.9
[M+Na-2H]- 454.96579 195.5
[M]+ 433.99057 201.4
[M]- 433.99167 201.4
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.