CID 54594959

8-fluoro-3-iodoquinoline-5-sulfonyl chloride

Structural Information

Molecular Formula
C9H4ClFINO2S
SMILES
C1=CC(=C2C=C(C=NC2=C1F)I)S(=O)(=O)Cl
InChI
InChI=1S/C9H4ClFINO2S/c10-16(14,15)8-2-1-7(11)9-6(8)3-5(12)4-13-9/h1-4H
InChIKey
RMDZMXVXSFEFFQ-UHFFFAOYSA-N
Compound name
8-fluoro-3-iodoquinoline-5-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

370.868 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 371.87528 150.5
[M+Na]+ 393.85722 156.1
[M-H]- 369.86072 146.5
[M+NH4]+ 388.90182 164.0
[M+K]+ 409.83116 156.5
[M+H-H2O]+ 353.86526 141.2
[M+HCOO]- 415.86620 157.6
[M+CH3COO]- 429.88185 198.7
[M+Na-2H]- 391.84267 145.1
[M]+ 370.86745 152.3
[M]- 370.86855 152.3
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.