CID 3840469

(3-(2,4-dichlorophenyl)-1-phenyl-1h-pyrazol-4-yl)methanol

Structural Information

Molecular Formula
C16H12Cl2N2O
SMILES
C1=CC=C(C=C1)N2C=C(C(=N2)C3=C(C=C(C=C3)Cl)Cl)CO
InChI
InChI=1S/C16H12Cl2N2O/c17-12-6-7-14(15(18)8-12)16-11(10-21)9-20(19-16)13-4-2-1-3-5-13/h1-9,21H,10H2
InChIKey
VBLNIBGMKUEXDH-UHFFFAOYSA-N
Compound name
[3-(2,4-dichlorophenyl)-1-phenylpyrazol-4-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

318.03265 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.03993 171.0
[M+Na]+ 341.02187 188.8
[M+NH4]+ 336.06647 179.9
[M+K]+ 356.99581 180.7
[M-H]- 317.02537 176.3
[M+Na-2H]- 339.00732 181.2
[M]+ 318.03210 175.8
[M]- 318.03320 175.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

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Patent stripe

No patent data available for this compound.