CID 673662

Akos024326262

Structural Information

Molecular Formula
C11H10BrN3O5
SMILES
CC1=C(C(=NN1CC2=CC=C(O2)C(=O)OC)[N+](=O)[O-])Br
InChI
InChI=1S/C11H10BrN3O5/c1-6-9(12)10(15(17)18)13-14(6)5-7-3-4-8(20-7)11(16)19-2/h3-4H,5H2,1-2H3
InChIKey
QDXROBZGVPIVNO-UHFFFAOYSA-N
Compound name
methyl 5-[(4-bromo-5-methyl-3-nitropyrazol-1-yl)methyl]furan-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

342.98038 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.98766 175.5
[M+Na]+ 365.96960 178.0
[M+NH4]+ 361.01420 177.2
[M+K]+ 381.94354 185.1
[M-H]- 341.97310 176.4
[M+Na-2H]- 363.95505 175.5
[M]+ 342.97983 174.6
[M]- 342.98093 174.6
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.