CID 154577142

2,3-difluoropyridine-4-sulfonyl fluoride

Structural Information

Molecular Formula
C5H2F3NO2S
SMILES
C1=CN=C(C(=C1S(=O)(=O)F)F)F
InChI
InChI=1S/C5H2F3NO2S/c6-4-3(12(8,10)11)1-2-9-5(4)7/h1-2H
InChIKey
JMXBNPGUGSSMSQ-UHFFFAOYSA-N
Compound name
2,3-difluoropyridine-4-sulfonyl fluoride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

196.97583 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.98311 128.8
[M+Na]+ 219.96505 140.7
[M-H]- 195.96855 128.4
[M+NH4]+ 215.00965 147.6
[M+K]+ 235.93899 137.5
[M+H-H2O]+ 179.97309 120.7
[M+HCOO]- 241.97403 144.1
[M+CH3COO]- 255.98968 179.0
[M+Na-2H]- 217.95050 133.2
[M]+ 196.97528 128.2
[M]- 196.97638 128.2
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.