CID 5192598

618441-82-0

Structural Information

Molecular Formula
C17H15ClN2O
SMILES
CC1=CC=CC=C1N2C=C(C(=N2)C3=CC=C(C=C3)Cl)CO
InChI
InChI=1S/C17H15ClN2O/c1-12-4-2-3-5-16(12)20-10-14(11-21)17(19-20)13-6-8-15(18)9-7-13/h2-10,21H,11H2,1H3
InChIKey
BNXIVHARTOHYBV-UHFFFAOYSA-N
Compound name
[3-(4-chlorophenyl)-1-(2-methylphenyl)pyrazol-4-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

298.08728 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.094556 168.4
[M+Na]+ 321.076498 178.9
[M-H]- 297.080004 174.8
[M+NH4]+ 316.121103 183.0
[M+K]+ 337.050438 171.4
[M+H-H2O]+ 281.084540 159.5
[M+HCOO]- 343.085481 185.1
[M+CH3COO]- 357.101131 180.1
[M+Na-2H]- 319.061946 170.5
[M]+ 298.08673142 170.9
[M]- 298.08782858 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

No patent data available for this compound.