CID 66802338

7-fluoro-5-iodoindole

Structural Information

Molecular Formula
C8H5FIN
SMILES
C1=CNC2=C(C=C(C=C21)I)F
InChI
InChI=1S/C8H5FIN/c9-7-4-6(10)3-5-1-2-11-8(5)7/h1-4,11H
InChIKey
BRUNWOSWRZMWNY-UHFFFAOYSA-N
Compound name
7-fluoro-5-iodo-1H-indole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

41
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

literature stripe

Patent stripe

patents stripe