CID 16077250

4-(4-chlorobenzoyl)-2-(4-chlorophenyl)-1,5-dimethyl-pyrazol-3-one

Structural Information

Molecular Formula
C18H14Cl2N2O2
SMILES
CC1=C(C(=O)N(N1C)C2=CC=C(C=C2)Cl)C(=O)C3=CC=C(C=C3)Cl
InChI
InChI=1S/C18H14Cl2N2O2/c1-11-16(17(23)12-3-5-13(19)6-4-12)18(24)22(21(11)2)15-9-7-14(20)8-10-15/h3-10H,1-2H3
InChIKey
BDOPLGLDICOMQR-UHFFFAOYSA-N
Compound name
4-(4-chlorobenzoyl)-2-(4-chlorophenyl)-1,5-dimethylpyrazol-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

360.04324 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 361.05052 179.9
[M+Na]+ 383.03246 192.4
[M-H]- 359.03596 187.6
[M+NH4]+ 378.07706 193.5
[M+K]+ 399.00640 184.7
[M+H-H2O]+ 343.04050 171.3
[M+HCOO]- 405.04144 192.1
[M+CH3COO]- 419.05709 191.5
[M+Na-2H]- 381.01791 178.6
[M]+ 360.04269 186.1
[M]- 360.04379 186.1
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

No patent data available for this compound.