CID 854141

5-(5-chloro-2-hydroxy-4-methylphenyl)-1-phenylpyrazole

Structural Information

Molecular Formula
C16H13ClN2O
SMILES
CC1=CC(=C(C=C1Cl)C2=CC=NN2C3=CC=CC=C3)O
InChI
InChI=1S/C16H13ClN2O/c1-11-9-16(20)13(10-14(11)17)15-7-8-18-19(15)12-5-3-2-4-6-12/h2-10,20H,1H3
InChIKey
MMOWXHKNQZKRGK-UHFFFAOYSA-N
Compound name
4-chloro-5-methyl-2-(2-phenylpyrazol-3-yl)phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

20
Patents

284.07166 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.07894 163.8
[M+Na]+ 307.06088 174.8
[M-H]- 283.06438 170.4
[M+NH4]+ 302.10548 179.1
[M+K]+ 323.03482 167.5
[M+H-H2O]+ 267.06892 155.1
[M+HCOO]- 329.06986 180.9
[M+CH3COO]- 343.08551 176.0
[M+Na-2H]- 305.04633 166.4
[M]+ 284.07111 166.0
[M]- 284.07221 166.0
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