CID 67003471

5-fluoro-3-iodo-1-methyl-1h-indole

Structural Information

Molecular Formula
C9H7FIN
SMILES
CN1C=C(C2=C1C=CC(=C2)F)I
InChI
InChI=1S/C9H7FIN/c1-12-5-8(11)7-4-6(10)2-3-9(7)12/h2-5H,1H3
InChIKey
YEQWMJSBQCJAMA-UHFFFAOYSA-N
Compound name
5-fluoro-3-iodo-1-methylindole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

274.96072 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.96800 131.4
[M+Na]+ 297.94994 136.7
[M-H]- 273.95344 127.6
[M+NH4]+ 292.99454 149.4
[M+K]+ 313.92388 139.1
[M+H-H2O]+ 257.95798 121.6
[M+HCOO]- 319.95892 150.6
[M+CH3COO]- 333.97457 142.5
[M+Na-2H]- 295.93539 126.9
[M]+ 274.96017 130.5
[M]- 274.96127 130.5
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

patents stripe