CID 165979651

(6-chloropyridin-3-yl)(difluoromethyl)imino-lambda6-sulfanone

Structural Information

Molecular Formula
C6H5ClF2N2OS
SMILES
C1=CC(=NC=C1S(=N)(=O)C(F)F)Cl
InChI
InChI=1S/C6H5ClF2N2OS/c7-5-2-1-4(3-11-5)13(10,12)6(8)9/h1-3,6,10H
InChIKey
WILMHLRWQLBZIW-UHFFFAOYSA-N
Compound name
(6-chloropyridin-3-yl)-(difluoromethyl)-imino-oxo-lambda6-sulfane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

225.97792 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.98520 137.0
[M+Na]+ 248.96714 147.1
[M-H]- 224.97064 137.4
[M+NH4]+ 244.01174 155.0
[M+K]+ 264.94108 142.1
[M+H-H2O]+ 208.97518 130.2
[M+HCOO]- 270.97612 148.3
[M+CH3COO]- 284.99177 185.4
[M+Na-2H]- 246.95259 141.2
[M]+ 225.97737 136.6
[M]- 225.97847 136.6
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.