CID 406746

Nsc725026

Structural Information

Molecular Formula
C11H7ClN4O3
SMILES
C1=CC(=CC=C1N2C=C(C(=N2)C3=NNC(=O)O3)O)Cl
InChI
InChI=1S/C11H7ClN4O3/c12-6-1-3-7(4-2-6)16-5-8(17)9(15-16)10-13-14-11(18)19-10/h1-5,17H,(H,14,18)
InChIKey
DBMMPJBBLWSENN-UHFFFAOYSA-N
Compound name
5-[1-(4-chlorophenyl)-4-hydroxypyrazol-3-yl]-3H-1,3,4-oxadiazol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

278.02066 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.02794 155.7
[M+Na]+ 301.00988 169.0
[M-H]- 277.01338 160.5
[M+NH4]+ 296.05448 168.2
[M+K]+ 316.98382 163.7
[M+H-H2O]+ 261.01792 147.1
[M+HCOO]- 323.01886 172.0
[M+CH3COO]- 337.03451 168.3
[M+Na-2H]- 298.99533 158.7
[M]+ 278.02011 160.1
[M]- 278.02121 160.1
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.