CID 162345079

Ns00133334

Structural Information

Molecular Formula
C10H9ClN2O3
SMILES
C1=CC=C(C=C1)N2C(=O)C(/C(=C/O)/N2)(O)Cl
InChI
InChI=1S/C10H9ClN2O3/c11-10(16)8(6-14)12-13(9(10)15)7-4-2-1-3-5-7/h1-6,12,14,16H/b8-6-
InChIKey
CXEFRGUPKDGHBW-VURMDHGXSA-N
Compound name
(5Z)-4-chloro-4-hydroxy-5-(hydroxymethylidene)-2-phenylpyrazolidin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

240.03017 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.037446 149.1
[M+Na]+ 263.019388 158.9
[M-H]- 239.022894 149.8
[M+NH4]+ 258.063993 166.7
[M+K]+ 278.993328 152.6
[M+H-H2O]+ 223.027430 143.5
[M+HCOO]- 285.028371 162.0
[M+CH3COO]- 299.044021 179.3
[M+Na-2H]- 261.004836 152.0
[M]+ 240.02962142 146.4
[M]- 240.03071858 146.4
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

No patent data available for this compound.