CID 132354106

4-cyanopyridine-2-sulfonyl fluoride

Structural Information

Molecular Formula
C6H3FN2O2S
SMILES
C1=CN=C(C=C1C#N)S(=O)(=O)F
InChI
InChI=1S/C6H3FN2O2S/c7-12(10,11)6-3-5(4-8)1-2-9-6/h1-3H
InChIKey
IWRFBPXIFMOLON-UHFFFAOYSA-N
Compound name
4-cyanopyridine-2-sulfonyl fluoride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

185.98993 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.997206 138.1
[M+Na]+ 208.979148 150.1
[M-H]- 184.982654 140.0
[M+NH4]+ 204.023753 155.2
[M+K]+ 224.953088 147.7
[M+H-H2O]+ 168.987190 124.9
[M+HCOO]- 230.988131 152.0
[M+CH3COO]- 245.003781 189.2
[M+Na-2H]- 206.964596 143.0
[M]+ 185.98938142 134.4
[M]- 185.99047858 134.4
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

patents stripe