CID 129964522

Methyl 3-bromo-1h-thieno[2,3-c]pyrazole-5-carboxylate

Structural Information

Molecular Formula
C7H5BrN2O2S
SMILES
COC(=O)C1=CC2=C(NN=C2S1)Br
InChI
InChI=1S/C7H5BrN2O2S/c1-12-7(11)4-2-3-5(8)9-10-6(3)13-4/h2H,1H3,(H,9,10)
InChIKey
WYSWKZBFCVBNOG-UHFFFAOYSA-N
Compound name
methyl 3-bromo-2H-thieno[2,3-c]pyrazole-5-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

259.9255 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.93278 140.1
[M+Na]+ 282.91472 156.2
[M-H]- 258.91822 145.7
[M+NH4]+ 277.95932 163.5
[M+K]+ 298.88866 145.4
[M+H-H2O]+ 242.92276 141.6
[M+HCOO]- 304.92370 157.2
[M+CH3COO]- 318.93935 156.4
[M+Na-2H]- 280.90017 144.2
[M]+ 259.92495 163.6
[M]- 259.92605 163.6
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.