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]+ 253.92812 131.5
[M+Na]+ 275.91006 146.3
[M-H]- 251.91356 136.6
[M+NH4]+ 270.95466 152.2
[M+K]+ 291.88400 134.6
[M+H-H2O]+ 235.91810 131.5
[M+HCOO]- 297.91904 146.9
[M+CH3COO]- 311.93469 186.7
[M+Na-2H]- 273.89551 138.6
[M]+ 252.92029 152.2
[M]- 252.92139 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.