CID 12240770

Ethyl 5-formyl-1-phenyl-1h-pyrazole-4-carboxylate

Structural Information

Molecular Formula
C13H12N2O3
SMILES
CCOC(=O)C1=C(N(N=C1)C2=CC=CC=C2)C=O
InChI
InChI=1S/C13H12N2O3/c1-2-18-13(17)11-8-14-15(12(11)9-16)10-6-4-3-5-7-10/h3-9H,2H2,1H3
InChIKey
WQOHUJHHYMVBTB-UHFFFAOYSA-N
Compound name
ethyl 5-formyl-1-phenylpyrazole-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

244.0848 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.09208 152.8
[M+Na]+ 267.07402 161.7
[M-H]- 243.07752 157.4
[M+NH4]+ 262.11862 169.2
[M+K]+ 283.04796 159.0
[M+H-H2O]+ 227.08206 144.4
[M+HCOO]- 289.08300 175.7
[M+CH3COO]- 303.09865 191.2
[M+Na-2H]- 265.05947 156.3
[M]+ 244.08425 156.3
[M]- 244.08535 156.3
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.