CID 216517

Brn 1084269

Structural Information

Molecular Formula
C9H10ClN2O3PS2
SMILES
COP(=S)(C)SCN1C2=C(C=C(C=N2)Cl)OC1=O
InChI
InChI=1S/C9H10ClN2O3PS2/c1-14-16(2,17)18-5-12-8-7(15-9(12)13)3-6(10)4-11-8/h3-4H,5H2,1-2H3
InChIKey
BTIFCTVFOJKHRM-UHFFFAOYSA-N
Compound name
6-chloro-3-[[methoxy(methyl)phosphinothioyl]sulfanylmethyl]-[1,3]oxazolo[4,5-b]pyridin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

323.9559 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.96318 166.3
[M+Na]+ 346.94512 178.9
[M+NH4]+ 341.98972 173.4
[M+K]+ 362.91906 171.6
[M-H]- 322.94862 167.3
[M+Na-2H]- 344.93057 168.9
[M]+ 323.95535 169.5
[M]- 323.95645 169.5
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

No patent data available for this compound.