CID 153203583

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

Structural Information

Molecular Formula
C7H9ClN2OS
SMILES
CCS(=N)(=O)C1=CN=C(C=C1)Cl
InChI
InChI=1S/C7H9ClN2OS/c1-2-12(9,11)6-3-4-7(8)10-5-6/h3-5,9H,2H2,1H3
InChIKey
WKJPDJITQHKGLL-UHFFFAOYSA-N
Compound name
(6-chloropyridin-3-yl)-ethyl-imino-oxo-lambda6-sulfane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

204.0124 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.01968 138.8
[M+Na]+ 227.00162 148.8
[M-H]- 203.00512 141.8
[M+NH4]+ 222.04622 157.9
[M+K]+ 242.97556 143.9
[M+H-H2O]+ 187.00966 133.7
[M+HCOO]- 249.01060 152.8
[M+CH3COO]- 263.02625 182.2
[M+Na-2H]- 224.98707 144.4
[M]+ 204.01185 141.5
[M]- 204.01295 141.5
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