CID 139593211

2-bromopyridine-4-sulfonyl fluoride

Structural Information

Molecular Formula
C5H3BrFNO2S
SMILES
C1=CN=C(C=C1S(=O)(=O)F)Br
InChI
InChI=1S/C5H3BrFNO2S/c6-5-3-4(1-2-8-5)11(7,9)10/h1-3H
InChIKey
IHRWTHXMYOLLNB-UHFFFAOYSA-N
Compound name
2-bromopyridine-4-sulfonyl fluoride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

238.9052 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.91248 127.7
[M+Na]+ 261.89442 142.2
[M-H]- 237.89792 132.6
[M+NH4]+ 256.93902 148.7
[M+K]+ 277.86836 130.7
[M+H-H2O]+ 221.90246 127.8
[M+HCOO]- 283.90340 143.4
[M+CH3COO]- 297.91905 182.8
[M+Na-2H]- 259.87987 135.9
[M]+ 238.90465 147.7
[M]- 238.90575 147.7
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.