CID 139022368

6-bromoquinoline-8-sulfonyl fluoride

Structural Information

Molecular Formula
C9H5BrFNO2S
SMILES
C1=CC2=CC(=CC(=C2N=C1)S(=O)(=O)F)Br
InChI
InChI=1S/C9H5BrFNO2S/c10-7-4-6-2-1-3-12-9(6)8(5-7)15(11,13)14/h1-5H
InChIKey
WCLQMWPTVPNZNM-UHFFFAOYSA-N
Compound name
6-bromoquinoline-8-sulfonyl fluoride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

288.92084 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.928116 141.8
[M+Na]+ 311.910058 156.6
[M-H]- 287.913564 147.4
[M+NH4]+ 306.954663 162.0
[M+K]+ 327.883998 144.3
[M+H-H2O]+ 271.918100 141.8
[M+HCOO]- 333.919041 156.2
[M+CH3COO]- 347.934691 192.8
[M+Na-2H]- 309.895506 150.7
[M]+ 288.92029142 162.7
[M]- 288.92138858 162.7
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.