CID 83840137

3-bromo-7-fluoro-1-methyl-1h-indazole

Structural Information

Molecular Formula
C8H6BrFN2
SMILES
CN1C2=C(C=CC=C2F)C(=N1)Br
InChI
InChI=1S/C8H6BrFN2/c1-12-7-5(8(9)11-12)3-2-4-6(7)10/h2-4H,1H3
InChIKey
WHBBBKQNZOYTBF-UHFFFAOYSA-N
Compound name
3-bromo-7-fluoro-1-methylindazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

227.96983 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.97711 137.5
[M+Na]+ 250.95905 153.7
[M-H]- 226.96255 142.3
[M+NH4]+ 246.00365 160.4
[M+K]+ 266.93299 142.2
[M+H-H2O]+ 210.96709 136.9
[M+HCOO]- 272.96803 158.6
[M+CH3COO]- 286.98368 154.0
[M+Na-2H]- 248.94450 146.0
[M]+ 227.96928 157.8
[M]- 227.97038 157.8
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