CID 24799526

Ethyl 3,5-dibromo-1-methyl-1h-pyrazole-4-carboxylate

Structural Information

Molecular Formula
C7H8Br2N2O2
SMILES
CCOC(=O)C1=C(N(N=C1Br)C)Br
InChI
InChI=1S/C7H8Br2N2O2/c1-3-13-7(12)4-5(8)10-11(2)6(4)9/h3H2,1-2H3
InChIKey
HSIBNRIZSHOSIM-UHFFFAOYSA-N
Compound name
ethyl 3,5-dibromo-1-methylpyrazole-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

29
Patents

309.89526 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.90254 139.9
[M+Na]+ 332.88448 152.7
[M-H]- 308.88798 145.4
[M+NH4]+ 327.92908 158.7
[M+K]+ 348.85842 138.2
[M+H-H2O]+ 292.89252 147.5
[M+HCOO]- 354.89346 155.6
[M+CH3COO]- 368.90911 204.6
[M+Na-2H]- 330.86993 145.3
[M]+ 309.89471 176.4
[M]- 309.89581 176.4
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

patents stripe