CID 131565179

8-fluoroquinoline-3-sulfonyl chloride

Structural Information

Molecular Formula
C9H5ClFNO2S
SMILES
C1=CC2=CC(=CN=C2C(=C1)F)S(=O)(=O)Cl
InChI
InChI=1S/C9H5ClFNO2S/c10-15(13,14)7-4-6-2-1-3-8(11)9(6)12-5-7/h1-5H
InChIKey
JVIMZLJLUPGUNI-UHFFFAOYSA-N
Compound name
8-fluoroquinoline-3-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

244.97136 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.978636 143.3
[M+Na]+ 267.960578 155.7
[M-H]- 243.964084 146.3
[M+NH4]+ 263.005183 162.3
[M+K]+ 283.934518 150.3
[M+H-H2O]+ 227.968620 137.5
[M+HCOO]- 289.969561 155.0
[M+CH3COO]- 303.985211 186.8
[M+Na-2H]- 265.946026 150.1
[M]+ 244.97081142 147.5
[M]- 244.97190858 147.5
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

No patent data available for this compound.