CID 165955342

8-fluoroquinoline-5-sulfonyl fluoride

Structural Information

Molecular Formula
C9H5F2NO2S
SMILES
C1=CC2=C(C=CC(=C2N=C1)F)S(=O)(=O)F
InChI
InChI=1S/C9H5F2NO2S/c10-7-3-4-8(15(11,13)14)6-2-1-5-12-9(6)7/h1-5H
InChIKey
OMSDUIMMSVMMGW-UHFFFAOYSA-N
Compound name
8-fluoroquinoline-5-sulfonyl fluoride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

229.0009 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.00818 140.6
[M+Na]+ 251.99012 152.5
[M-H]- 227.99362 142.2
[M+NH4]+ 247.03472 159.3
[M+K]+ 267.96406 148.1
[M+H-H2O]+ 211.99816 133.0
[M+HCOO]- 273.99910 155.8
[M+CH3COO]- 288.01475 185.7
[M+Na-2H]- 249.97557 147.2
[M]+ 229.00035 141.7
[M]- 229.00145 141.7
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.