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]+ 273.07894 161.5
[M+Na]+ 295.06088 177.3
[M+NH4]+ 290.10548 170.2
[M+K]+ 311.03482 170.6
[M-H]- 271.06438 166.3
[M+Na-2H]- 293.04633 171.1
[M]+ 272.07111 165.5
[M]- 272.07221 165.5
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.