CID 74891417

7-fluoro-1-iodoisoquinoline

Structural Information

Molecular Formula
C9H5FIN
SMILES
C1=CC(=CC2=C1C=CN=C2I)F
InChI
InChI=1S/C9H5FIN/c10-7-2-1-6-3-4-12-9(11)8(6)5-7/h1-5H
InChIKey
MTAXQKPJFCSUDO-UHFFFAOYSA-N
Compound name
7-fluoro-1-iodoisoquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

272.94507 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.95235 137.8
[M+Na]+ 295.93429 145.1
[M+NH4]+ 290.97889 143.0
[M+K]+ 311.90823 140.7
[M-H]- 271.93779 133.8
[M+Na-2H]- 293.91974 133.6
[M]+ 272.94452 136.8
[M]- 272.94562 136.8
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