CID 205847

Brn 1215631

Structural Information

Molecular Formula
C7H12NO4PS
SMILES
CCOP(=S)(OCC)OC1=NOC=C1
InChI
InChI=1S/C7H12NO4PS/c1-3-10-13(14,11-4-2)12-7-5-6-9-8-7/h5-6H,3-4H2,1-2H3
InChIKey
JMXKZIXDUCUBTJ-UHFFFAOYSA-N
Compound name
diethoxy-(1,2-oxazol-3-yloxy)-sulfanylidene-lambda5-phosphane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

237.02246 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.02974 148.5
[M+Na]+ 260.01168 156.6
[M-H]- 236.01518 150.6
[M+NH4]+ 255.05628 166.5
[M+K]+ 275.98562 157.3
[M+H-H2O]+ 220.01972 140.1
[M+HCOO]- 282.02066 172.3
[M+CH3COO]- 296.03631 186.4
[M+Na-2H]- 257.99713 150.4
[M]+ 237.02191 157.0
[M]- 237.02301 157.0
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.