CID 75487720

6-bromo-7-fluoro-1h-indazole

Structural Information

Molecular Formula
C7H4BrFN2
SMILES
C1=CC(=C(C2=C1C=NN2)F)Br
InChI
InChI=1S/C7H4BrFN2/c8-5-2-1-4-3-10-11-7(4)6(5)9/h1-3H,(H,10,11)
InChIKey
DAHIIJDLVALCAN-UHFFFAOYSA-N
Compound name
6-bromo-7-fluoro-1H-indazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

120
Patents

213.9542 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.961476 133.8
[M+Na]+ 236.943418 149.1
[M-H]- 212.946924 137.1
[M+NH4]+ 231.988023 156.3
[M+K]+ 252.917358 136.9
[M+H-H2O]+ 196.951460 133.4
[M+HCOO]- 258.952401 153.9
[M+CH3COO]- 272.968051 149.7
[M+Na-2H]- 234.928866 143.0
[M]+ 213.95365142 151.7
[M]- 213.95474858 151.7
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