CID 506192

Genz-6341

Structural Information

Molecular Formula
C15H10ClN3O3
SMILES
C1=CC(=CC(=C1)O)N2C=C(C=N2)C3=C(C=C(C=C3)[N+](=O)[O-])Cl
InChI
InChI=1S/C15H10ClN3O3/c16-15-7-12(19(21)22)4-5-14(15)10-8-17-18(9-10)11-2-1-3-13(20)6-11/h1-9,20H
InChIKey
XXYJQBAMUDBEOO-UHFFFAOYSA-N
Compound name
3-[4-(2-chloro-4-nitrophenyl)pyrazol-1-yl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

315.04108 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 316.04836 169.2
[M+Na]+ 338.03030 177.8
[M-H]- 314.03380 175.8
[M+NH4]+ 333.07490 181.7
[M+K]+ 354.00424 167.6
[M+H-H2O]+ 298.03834 164.8
[M+HCOO]- 360.03928 187.4
[M+CH3COO]- 374.05493 195.4
[M+Na-2H]- 336.01575 174.2
[M]+ 315.04053 169.5
[M]- 315.04163 169.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.