CID 215350

Brn 1086471

Structural Information

Molecular Formula
C9H10ClN2O4PS2
SMILES
COP(=S)(OC)SCN1C2=C(C=C(C=N2)Cl)OC1=O
InChI
InChI=1S/C9H10ClN2O4PS2/c1-14-17(18,15-2)19-5-12-8-7(16-9(12)13)3-6(10)4-11-8/h3-4H,5H2,1-2H3
InChIKey
GOCDAKMSVFMVRJ-UHFFFAOYSA-N
Compound name
6-chloro-3-(dimethoxyphosphinothioylsulfanylmethyl)-[1,3]oxazolo[4,5-b]pyridin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

339.9508 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 340.95808 162.9
[M+Na]+ 362.94002 175.5
[M-H]- 338.94352 166.1
[M+NH4]+ 357.98462 178.3
[M+K]+ 378.91396 172.1
[M+H-H2O]+ 322.94806 155.8
[M+HCOO]- 384.94900 176.6
[M+CH3COO]- 398.96465 203.1
[M+Na-2H]- 360.92547 163.8
[M]+ 339.95025 175.0
[M]- 339.95135 175.0
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.