CID 4103570

138840-91-2

Structural Information

Molecular Formula
C15H13ClN2O
SMILES
C1C(NN=C1C2=CC=C(C=C2)Cl)C3=CC=CC=C3O
InChI
InChI=1S/C15H13ClN2O/c16-11-7-5-10(6-8-11)13-9-14(18-17-13)12-3-1-2-4-15(12)19/h1-8,14,18-19H,9H2
InChIKey
ZOTJTRRGWVNLNV-UHFFFAOYSA-N
Compound name
2-[3-(4-chlorophenyl)-4,5-dihydro-1H-pyrazol-5-yl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

272.07166 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.078936 160.5
[M+Na]+ 295.060878 169.6
[M-H]- 271.064384 165.2
[M+NH4]+ 290.105483 175.2
[M+K]+ 311.034818 161.9
[M+H-H2O]+ 255.068920 152.1
[M+HCOO]- 317.069861 175.1
[M+CH3COO]- 331.085511 171.6
[M+Na-2H]- 293.046326 163.1
[M]+ 272.07111142 158.8
[M]- 272.07220858 158.8
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.