CID 137951813

2-cyanopyridine-4-sulfonyl fluoride

Structural Information

Molecular Formula
C6H3FN2O2S
SMILES
C1=CN=C(C=C1S(=O)(=O)F)C#N
InChI
InChI=1S/C6H3FN2O2S/c7-12(10,11)6-1-2-9-5(3-6)4-8/h1-3H
InChIKey
QMIKUCZXOXDPTA-UHFFFAOYSA-N
Compound name
2-cyanopyridine-4-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]+ 186.99721 138.1
[M+Na]+ 208.97915 150.1
[M-H]- 184.98265 140.0
[M+NH4]+ 204.02375 155.2
[M+K]+ 224.95309 147.7
[M+H-H2O]+ 168.98719 124.9
[M+HCOO]- 230.98813 152.0
[M+CH3COO]- 245.00378 189.2
[M+Na-2H]- 206.96460 143.0
[M]+ 185.98938 134.4
[M]- 185.99048 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

No patent data available for this compound.