CID 16205246

71486-50-5

Structural Information

Molecular Formula
C12H12N2O4
SMILES
CCOC(=O)ON1C=CC(=O)N1C2=CC=CC=C2
InChI
InChI=1S/C12H12N2O4/c1-2-17-12(16)18-13-9-8-11(15)14(13)10-6-4-3-5-7-10/h3-9H,2H2,1H3
InChIKey
LGWFCQQARLTHNQ-UHFFFAOYSA-N
Compound name
ethyl (3-oxo-2-phenylpyrazol-1-yl) carbonate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

248.07971 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.086986 151.5
[M+Na]+ 271.068928 160.8
[M-H]- 247.072434 156.4
[M+NH4]+ 266.113533 167.8
[M+K]+ 287.042868 158.9
[M+H-H2O]+ 231.076970 143.2
[M+HCOO]- 293.077911 175.0
[M+CH3COO]- 307.093561 189.7
[M+Na-2H]- 269.054376 155.6
[M]+ 248.07916142 156.0
[M]- 248.08025858 156.0
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

No patent data available for this compound.