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]+ 245.97864 143.3
[M+Na]+ 267.96058 155.7
[M-H]- 243.96408 146.3
[M+NH4]+ 263.00518 162.3
[M+K]+ 283.93452 150.3
[M+H-H2O]+ 227.96862 137.5
[M+HCOO]- 289.96956 155.0
[M+CH3COO]- 303.98521 186.8
[M+Na-2H]- 265.94603 150.1
[M]+ 244.97081 147.5
[M]- 244.97191 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.