CID 67314157

3-(3-fluorophenylsulfonyl)-8-iodoquinoline

Structural Information

Molecular Formula
C15H9FINO2S
SMILES
C1=CC2=CC(=CN=C2C(=C1)I)S(=O)(=O)C3=CC=CC(=C3)F
InChI
InChI=1S/C15H9FINO2S/c16-11-4-2-5-12(8-11)21(19,20)13-7-10-3-1-6-14(17)15(10)18-9-13/h1-9H
InChIKey
PFLLTNYNAREIBV-UHFFFAOYSA-N
Compound name
3-(3-fluorophenyl)sulfonyl-8-iodoquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

28
Patents

412.9383 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 413.94558 170.1
[M+Na]+ 435.92752 173.8
[M-H]- 411.93102 168.2
[M+NH4]+ 430.97212 180.4
[M+K]+ 451.90146 173.8
[M+H-H2O]+ 395.93556 157.8
[M+HCOO]- 457.93650 180.7
[M+CH3COO]- 471.95215 177.5
[M+Na-2H]- 433.91297 164.3
[M]+ 412.93775 169.2
[M]- 412.93885 169.2
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