CID 56773884

3-bromo-4-fluoro-7-nitro-1h-indazole

Structural Information

Molecular Formula
C7H3BrFN3O2
SMILES
C1=C(C2=NNC(=C2C(=C1)F)Br)[N+](=O)[O-]
InChI
InChI=1S/C7H3BrFN3O2/c8-7-5-3(9)1-2-4(12(13)14)6(5)10-11-7/h1-2H,(H,10,11)
InChIKey
YCKLPRIPJDYEJM-UHFFFAOYSA-N
Compound name
3-bromo-4-fluoro-7-nitro-2H-indazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

258.93927 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.94655 143.1
[M+Na]+ 281.92849 157.2
[M-H]- 257.93199 146.7
[M+NH4]+ 276.97309 162.9
[M+K]+ 297.90243 141.4
[M+H-H2O]+ 241.93653 146.1
[M+HCOO]- 303.93747 164.0
[M+CH3COO]- 317.95312 183.1
[M+Na-2H]- 279.91394 153.0
[M]+ 258.93872 160.5
[M]- 258.93982 160.5
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.