CID 24728238

3-bromo-5-fluoro-1h-indazole

Structural Information

Molecular Formula
C7H4BrFN2
SMILES
C1=CC2=NNC(=C2C=C1F)Br
InChI
InChI=1S/C7H4BrFN2/c8-7-5-3-4(9)1-2-6(5)10-11-7/h1-3H,(H,10,11)
InChIKey
YIZLRCNXHKTBBK-UHFFFAOYSA-N
Compound name
3-bromo-5-fluoro-2H-indazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

22
Patents

213.9542 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.96148 133.8
[M+Na]+ 236.94342 149.1
[M-H]- 212.94692 137.1
[M+NH4]+ 231.98802 156.3
[M+K]+ 252.91736 136.9
[M+H-H2O]+ 196.95146 133.4
[M+HCOO]- 258.95240 153.9
[M+CH3COO]- 272.96805 149.7
[M+Na-2H]- 234.92887 143.0
[M]+ 213.95365 151.7
[M]- 213.95475 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