CID 24229278

5-fluoro-4-iodo-1h-pyrrolo[2,3-b]pyridine

Structural Information

Molecular Formula
C7H4FIN2
SMILES
C1=CNC2=NC=C(C(=C21)I)F
InChI
InChI=1S/C7H4FIN2/c8-5-3-11-7-4(6(5)9)1-2-10-7/h1-3H,(H,10,11)
InChIKey
ZTZNXOHCFQLAGN-UHFFFAOYSA-N
Compound name
5-fluoro-4-iodo-1H-pyrrolo[2,3-b]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

111
Patents

261.9403 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.947576 127.1
[M+Na]+ 284.929518 132.0
[M-H]- 260.933024 120.6
[M+NH4]+ 279.974123 143.3
[M+K]+ 300.903458 133.8
[M+H-H2O]+ 244.937560 116.7
[M+HCOO]- 306.938501 144.3
[M+CH3COO]- 320.954151 137.4
[M+Na-2H]- 282.914966 123.8
[M]+ 261.93975142 124.0
[M]- 261.94084858 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