CID 24212702

Dimethyl 1-(2,4-dibromo-6-ethylphenyl)-1h-pyrazole-3,4-dicarboxylate

Structural Information

Molecular Formula
C15H14Br2N2O4
SMILES
CCC1=C(C(=CC(=C1)Br)Br)N2C=C(C(=N2)C(=O)OC)C(=O)OC
InChI
InChI=1S/C15H14Br2N2O4/c1-4-8-5-9(16)6-11(17)13(8)19-7-10(14(20)22-2)12(18-19)15(21)23-3/h5-7H,4H2,1-3H3
InChIKey
OYCGONNZIRSDAA-UHFFFAOYSA-N
Compound name
dimethyl 1-(2,4-dibromo-6-ethylphenyl)pyrazole-3,4-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

443.93204 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 444.93932 169.1
[M+Na]+ 466.92126 180.2
[M-H]- 442.92476 176.9
[M+NH4]+ 461.96586 183.3
[M+K]+ 482.89520 165.9
[M+H-H2O]+ 426.92930 175.8
[M+HCOO]- 488.93024 183.3
[M+CH3COO]- 502.94589 223.7
[M+Na-2H]- 464.90671 170.7
[M]+ 443.93149 207.5
[M]- 443.93259 207.5
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.