CID 9889172

Am-694

Structural Information

Molecular Formula
C20H19FINO
SMILES
C1=CC=C2C(=C1)C(=CN2CCCCCF)C(=O)C3=CC=CC=C3I
InChI
InChI=1S/C20H19FINO/c21-12-6-1-7-13-23-14-17(15-8-3-5-11-19(15)23)20(24)16-9-2-4-10-18(16)22/h2-5,8-11,14H,1,6-7,12-13H2
InChIKey
LFFIIZFINPPEMC-UHFFFAOYSA-N
Compound name
[1-(5-fluoropentyl)indol-3-yl]-(2-iodophenyl)methanone
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

7
References

69
Patents

435.04953 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 436.05681 190.3
[M+Na]+ 458.03875 196.5
[M+NH4]+ 453.08335 193.6
[M+K]+ 474.01269 192.1
[M-H]- 434.04225 186.9
[M+Na-2H]- 456.02420 184.4
[M]+ 435.04898 189.2
[M]- 435.05008 189.2
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