CID 688694

61466-46-4

Structural Information

Molecular Formula
C16H11ClN2O2
SMILES
C1=CC=C(C=C1)N2C=C(C=N2)C(=O)C3=C(C=CC(=C3)Cl)O
InChI
InChI=1S/C16H11ClN2O2/c17-12-6-7-15(20)14(8-12)16(21)11-9-18-19(10-11)13-4-2-1-3-5-13/h1-10,20H
InChIKey
HEVRUKPQOSEFKD-UHFFFAOYSA-N
Compound name
(5-chloro-2-hydroxyphenyl)-(1-phenylpyrazol-4-yl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

298.0509 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.05818 165.5
[M+Na]+ 321.04012 175.3
[M-H]- 297.04362 171.9
[M+NH4]+ 316.08472 179.6
[M+K]+ 337.01406 168.6
[M+H-H2O]+ 281.04816 156.6
[M+HCOO]- 343.04910 182.0
[M+CH3COO]- 357.06475 177.1
[M+Na-2H]- 319.02557 167.8
[M]+ 298.05035 167.4
[M]- 298.05145 167.4
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