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]+ 289.92812 141.8
[M+Na]+ 311.91006 156.6
[M-H]- 287.91356 147.4
[M+NH4]+ 306.95466 162.0
[M+K]+ 327.88400 144.3
[M+H-H2O]+ 271.91810 141.8
[M+HCOO]- 333.91904 156.2
[M+CH3COO]- 347.93469 192.8
[M+Na-2H]- 309.89551 150.7
[M]+ 288.92029 162.7
[M]- 288.92139 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.