CID 138987914

2305255-42-7

Structural Information

Molecular Formula
C6H5F2NO2S
SMILES
CC1=CC(=C(N=C1)F)S(=O)(=O)F
InChI
InChI=1S/C6H5F2NO2S/c1-4-2-5(12(8,10)11)6(7)9-3-4/h2-3H,1H3
InChIKey
WDZYHAWMPQMUKH-UHFFFAOYSA-N
Compound name
2-fluoro-5-methylpyridine-3-sulfonyl fluoride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

193.0009 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.00818 131.0
[M+Na]+ 215.99012 142.6
[M-H]- 191.99362 131.9
[M+NH4]+ 211.03472 150.2
[M+K]+ 231.96406 139.5
[M+H-H2O]+ 175.99816 123.8
[M+HCOO]- 237.99910 147.1
[M+CH3COO]- 252.01475 179.2
[M+Na-2H]- 213.97557 135.5
[M]+ 193.00035 131.9
[M]- 193.00145 131.9
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.