CID 3525246

(1,3-bis(4-chlorophenyl)-1h-pyrazol-4-yl)methanol

Structural Information

Molecular Formula
C16H12Cl2N2O
SMILES
C1=CC(=CC=C1C2=NN(C=C2CO)C3=CC=C(C=C3)Cl)Cl
InChI
InChI=1S/C16H12Cl2N2O/c17-13-3-1-11(2-4-13)16-12(10-21)9-20(19-16)15-7-5-14(18)6-8-15/h1-9,21H,10H2
InChIKey
UPOBQQGAPSENMN-UHFFFAOYSA-N
Compound name
[1,3-bis(4-chlorophenyl)pyrazol-4-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
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 170.0
[M+Na]+ 341.02187 181.2
[M-H]- 317.02537 175.6
[M+NH4]+ 336.06647 184.3
[M+K]+ 356.99581 173.0
[M+H-H2O]+ 301.02991 161.4
[M+HCOO]- 363.03085 181.8
[M+CH3COO]- 377.04650 181.3
[M+Na-2H]- 339.00732 171.8
[M]+ 318.03210 173.3
[M]- 318.03320 173.3
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

patents stripe