CID 1489294

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

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
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

literature stripe

Patent stripe

patents stripe