CID 146155271

2299784-94-2

Structural Information

Molecular Formula
C6H5BrFNO2S
SMILES
CC1=CC(=C(N=C1)S(=O)(=O)F)Br
InChI
InChI=1S/C6H5BrFNO2S/c1-4-2-5(7)6(9-3-4)12(8,10)11/h2-3H,1H3
InChIKey
ITILXMSHGLYJFA-UHFFFAOYSA-N
Compound name
3-bromo-5-methylpyridine-2-sulfonyl fluoride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

252.92084 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.928116 131.5
[M+Na]+ 275.910058 146.3
[M-H]- 251.913564 136.6
[M+NH4]+ 270.954663 152.2
[M+K]+ 291.883998 134.6
[M+H-H2O]+ 235.918100 131.5
[M+HCOO]- 297.919041 146.9
[M+CH3COO]- 311.934691 186.7
[M+Na-2H]- 273.895506 138.6
[M]+ 252.92029142 152.2
[M]- 252.92138858 152.2
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.