CID 208502

Phosphorothioic acid, o-(4-chloro-5-methyl-3-isoxazolyl) o,o-dimethyl ester

Structural Information

Molecular Formula
C6H9ClNO4PS
SMILES
CC1=C(C(=NO1)OP(=S)(OC)OC)Cl
InChI
InChI=1S/C6H9ClNO4PS/c1-4-5(7)6(8-11-4)12-13(14,9-2)10-3/h1-3H3
InChIKey
IRJBPFCRFGEYRT-UHFFFAOYSA-N
Compound name
(4-chloro-5-methyl-1,2-oxazol-3-yl)oxy-dimethoxy-sulfanylidene-lambda5-phosphane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

256.96783 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.97511 147.3
[M+Na]+ 279.95705 158.1
[M-H]- 255.96055 150.6
[M+NH4]+ 275.00165 165.9
[M+K]+ 295.93099 157.3
[M+H-H2O]+ 239.96509 140.5
[M+HCOO]- 301.96603 166.7
[M+CH3COO]- 315.98168 189.5
[M+Na-2H]- 277.94250 148.4
[M]+ 256.96728 157.9
[M]- 256.96838 157.9
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.