CID 45933667

6-fluoro-5-nitro-1h-indazole

Structural Information

Molecular Formula
C7H4FN3O2
SMILES
C1=C2C=NNC2=CC(=C1[N+](=O)[O-])F
InChI
InChI=1S/C7H4FN3O2/c8-5-2-6-4(3-9-10-6)1-7(5)11(12)13/h1-3H,(H,9,10)
InChIKey
CQWPKRSNPVUHQA-UHFFFAOYSA-N
Compound name
6-fluoro-5-nitro-1H-indazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

100
Patents

181.02875 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 182.03603 128.8
[M+Na]+ 204.01797 139.4
[M-H]- 180.02147 129.4
[M+NH4]+ 199.06257 147.8
[M+K]+ 219.99191 131.9
[M+H-H2O]+ 164.02601 126.0
[M+HCOO]- 226.02695 152.2
[M+CH3COO]- 240.04260 171.4
[M+Na-2H]- 202.00342 139.0
[M]+ 181.02820 126.6
[M]- 181.02930 126.6
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