CID 24728217

6-fluoro-3-iodo-1h-indazole

Structural Information

Molecular Formula
C7H4FIN2
SMILES
C1=CC2=C(NN=C2C=C1F)I
InChI
InChI=1S/C7H4FIN2/c8-4-1-2-5-6(3-4)10-11-7(5)9/h1-3H,(H,10,11)
InChIKey
GSBQTDGAUHVRGU-UHFFFAOYSA-N
Compound name
6-fluoro-3-iodo-2H-indazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

76
Patents

261.9403 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.94758 127.1
[M+Na]+ 284.92952 132.0
[M-H]- 260.93302 120.6
[M+NH4]+ 279.97412 143.3
[M+K]+ 300.90346 133.8
[M+H-H2O]+ 244.93756 116.7
[M+HCOO]- 306.93850 144.3
[M+CH3COO]- 320.95415 137.4
[M+Na-2H]- 282.91497 123.8
[M]+ 261.93975 124.0
[M]- 261.94085 124.0
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