CID 205850

18853-95-7

Structural Information

Molecular Formula
C6H10NO4PS
SMILES
CC1=CC(=NO1)OP(=S)(OC)OC
InChI
InChI=1S/C6H10NO4PS/c1-5-4-6(7-10-5)11-12(13,8-2)9-3/h4H,1-3H3
InChIKey
SYNNQIQTIKNLGT-UHFFFAOYSA-N
Compound name
dimethoxy-[(5-methyl-1,2-oxazol-3-yl)oxy]-sulfanylidene-lambda5-phosphane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

223.00682 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.01410 143.2
[M+Na]+ 245.99604 152.6
[M-H]- 221.99954 145.9
[M+NH4]+ 241.04064 162.1
[M+K]+ 261.96998 153.5
[M+H-H2O]+ 206.00408 135.4
[M+HCOO]- 268.00502 167.3
[M+CH3COO]- 282.02067 184.5
[M+Na-2H]- 243.98149 145.1
[M]+ 223.00627 151.8
[M]- 223.00737 151.8
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.