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 160.3
[M+Na]+ 346.94512 173.3
[M-H]- 322.94862 163.5
[M+NH4]+ 341.98972 176.6
[M+K]+ 362.91906 169.3
[M+H-H2O]+ 306.95316 153.3
[M+HCOO]- 368.95410 173.8
[M+CH3COO]- 382.96975 201.0
[M+Na-2H]- 344.93057 160.7
[M]+ 323.95535 171.1
[M]- 323.95645 171.1
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.