CID 22918638

3,5-dibromo-1-methyl-4-nitro-1h-pyrazole

Structural Information

Molecular Formula
C4H3Br2N3O2
SMILES
CN1C(=C(C(=N1)Br)[N+](=O)[O-])Br
InChI
InChI=1S/C4H3Br2N3O2/c1-8-4(6)2(9(10)11)3(5)7-8/h1H3
InChIKey
PGMQVDHYFOWDLI-UHFFFAOYSA-N
Compound name
3,5-dibromo-1-methyl-4-nitropyrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
Patents

282.8592 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.86648 138.7
[M+Na]+ 305.84842 151.5
[M-H]- 281.85192 144.6
[M+NH4]+ 300.89302 157.6
[M+K]+ 321.82236 133.7
[M+H-H2O]+ 265.85646 149.2
[M+HCOO]- 327.85740 156.2
[M+CH3COO]- 341.87305 196.3
[M+Na-2H]- 303.83387 146.8
[M]+ 282.85865 173.3
[M]- 282.85975 173.3
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

patents stripe