CID 171456792

(2-chloropyridin-3-yl)(imino)methyl-lambda6-sulfanone

Structural Information

Molecular Formula
C6H7ClN2OS
SMILES
CS(=N)(=O)C1=C(N=CC=C1)Cl
InChI
InChI=1S/C6H7ClN2OS/c1-11(8,10)5-3-2-4-9-6(5)7/h2-4,8H,1H3
InChIKey
QXABQTLHMBUAEY-UHFFFAOYSA-N
Compound name
(2-chloro-3-pyridinyl)-imino-methyl-oxo-lambda6-sulfane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

189.99677 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.00405 134.3
[M+Na]+ 212.98599 144.8
[M-H]- 188.98949 137.6
[M+NH4]+ 208.03059 154.0
[M+K]+ 228.95993 140.2
[M+H-H2O]+ 172.99403 129.4
[M+HCOO]- 234.99497 148.7
[M+CH3COO]- 249.01062 179.2
[M+Na-2H]- 210.97144 140.4
[M]+ 189.99622 136.6
[M]- 189.99732 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.