CID 561652

57845-06-4

Structural Information

Molecular Formula
C21H16Cl2N2
SMILES
C1C(N(N=C1C2=CC=C(C=C2)Cl)C3=CC=CC=C3)C4=CC=C(C=C4)Cl
InChI
InChI=1S/C21H16Cl2N2/c22-17-10-6-15(7-11-17)20-14-21(16-8-12-18(23)13-9-16)25(24-20)19-4-2-1-3-5-19/h1-13,21H,14H2
InChIKey
NTHVRFBJCARCTA-UHFFFAOYSA-N
Compound name
3,5-bis(4-chlorophenyl)-2-phenyl-3,4-dihydropyrazole
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1
Patents

366.06906 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 367.07634 186.8
[M+Na]+ 389.05828 196.6
[M-H]- 365.06178 195.7
[M+NH4]+ 384.10288 199.0
[M+K]+ 405.03222 187.1
[M+H-H2O]+ 349.06632 175.7
[M+HCOO]- 411.06726 197.7
[M+CH3COO]- 425.08291 196.7
[M+Na-2H]- 387.04373 187.0
[M]+ 366.06851 188.3
[M]- 366.06961 188.3
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