CID 72216553

2-cyano-6-(trifluoromethyl)pyridine-4-sulfonyl chloride

Structural Information

Molecular Formula
C7H2ClF3N2O2S
SMILES
C1=C(C=C(N=C1C#N)C(F)(F)F)S(=O)(=O)Cl
InChI
InChI=1S/C7H2ClF3N2O2S/c8-16(14,15)5-1-4(3-12)13-6(2-5)7(9,10)11/h1-2H
InChIKey
JYAOQEGGDQEJLI-UHFFFAOYSA-N
Compound name
2-cyano-6-(trifluoromethyl)pyridine-4-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

269.94775 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.95503 150.8
[M+Na]+ 292.93697 163.7
[M-H]- 268.94047 150.5
[M+NH4]+ 287.98157 165.8
[M+K]+ 308.91091 159.6
[M+H-H2O]+ 252.94501 137.1
[M+HCOO]- 314.94595 157.1
[M+CH3COO]- 328.96160 201.0
[M+Na-2H]- 290.92242 154.2
[M]+ 269.94720 146.6
[M]- 269.94830 146.6
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.