CID 5174476

55432-10-5

Structural Information

Molecular Formula
C17H15ClN2O
SMILES
CC1=CC(=CC=C1)N2C=C(C(=N2)C3=CC=C(C=C3)Cl)CO
InChI
InChI=1S/C17H15ClN2O/c1-12-3-2-4-16(9-12)20-10-14(11-21)17(19-20)13-5-7-15(18)8-6-13/h2-10,21H,11H2,1H3
InChIKey
VSRNJNLNGPWIJE-UHFFFAOYSA-N
Compound name
[3-(4-chlorophenyl)-1-(3-methylphenyl)pyrazol-4-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

298.08728 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.09456 168.4
[M+Na]+ 321.07650 178.9
[M-H]- 297.08000 174.8
[M+NH4]+ 316.12110 183.0
[M+K]+ 337.05044 171.4
[M+H-H2O]+ 281.08454 159.5
[M+HCOO]- 343.08548 185.1
[M+CH3COO]- 357.10113 180.1
[M+Na-2H]- 319.06195 170.5
[M]+ 298.08673 170.9
[M]- 298.08783 170.9
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

patents stripe