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 131.5
[M+Na]+ 295.93429 134.9
[M-H]- 271.93779 126.8
[M+NH4]+ 290.97889 147.2
[M+K]+ 311.90823 137.2
[M+H-H2O]+ 255.94233 120.8
[M+HCOO]- 317.94327 148.5
[M+CH3COO]- 331.95892 141.4
[M+Na-2H]- 293.91974 129.2
[M]+ 272.94452 128.0
[M]- 272.94562 128.0
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