CID 3792191

618441-96-6

Structural Information

Molecular Formula
C16H11Cl3N2O
SMILES
C1=CC=C(C(=C1)N2C=C(C(=N2)C3=C(C=C(C=C3)Cl)Cl)CO)Cl
InChI
InChI=1S/C16H11Cl3N2O/c17-11-5-6-12(14(19)7-11)16-10(9-22)8-21(20-16)15-4-2-1-3-13(15)18/h1-8,22H,9H2
InChIKey
MBXGOEHMXOTBRS-UHFFFAOYSA-N
Compound name
[1-(2-chlorophenyl)-3-(2,4-dichlorophenyl)pyrazol-4-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

351.99368 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.00096 176.1
[M+Na]+ 374.98290 187.8
[M-H]- 350.98640 180.4
[M+NH4]+ 370.02750 189.1
[M+K]+ 390.95684 179.2
[M+H-H2O]+ 334.99094 167.8
[M+HCOO]- 396.99188 182.2
[M+CH3COO]- 411.00753 186.3
[M+Na-2H]- 372.96835 175.9
[M]+ 351.99313 179.9
[M]- 351.99423 179.9
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.