CID 130052321

6-fluoro-2-iodo-1h-indole

Structural Information

Molecular Formula
C8H5FIN
SMILES
C1=CC2=C(C=C1F)NC(=C2)I
InChI
InChI=1S/C8H5FIN/c9-6-2-1-5-3-8(10)11-7(5)4-6/h1-4,11H
InChIKey
FHTXSZAHHDWLDQ-UHFFFAOYSA-N
Compound name
6-fluoro-2-iodo-1H-indole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

260.94507 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.95235 128.9
[M+Na]+ 283.93429 133.3
[M-H]- 259.93779 123.5
[M+NH4]+ 278.97889 146.4
[M+K]+ 299.90823 135.0
[M+H-H2O]+ 243.94233 119.2
[M+HCOO]- 305.94327 146.9
[M+CH3COO]- 319.95892 139.3
[M+Na-2H]- 281.91974 124.9
[M]+ 260.94452 125.5
[M]- 260.94562 125.5
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

No patent data available for this compound.