CID 208500

32306-20-0

Structural Information

Molecular Formula
C8H13ClNO4PS
SMILES
CCOP(=S)(OCC)OC1=NOC(=C1Cl)C
InChI
InChI=1S/C8H13ClNO4PS/c1-4-11-15(16,12-5-2)14-8-7(9)6(3)13-10-8/h4-5H2,1-3H3
InChIKey
LUXSZZSKMKQMJA-UHFFFAOYSA-N
Compound name
(4-chloro-5-methyl-1,2-oxazol-3-yl)oxy-diethoxy-sulfanylidene-lambda5-phosphane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

284.99915 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.00643 156.7
[M+Na]+ 307.98837 166.7
[M-H]- 283.99187 159.7
[M+NH4]+ 303.03297 174.3
[M+K]+ 323.96231 165.4
[M+H-H2O]+ 267.99641 149.6
[M+HCOO]- 329.99735 175.5
[M+CH3COO]- 344.01300 195.4
[M+Na-2H]- 305.97382 156.9
[M]+ 284.99860 168.1
[M]- 284.99970 168.1
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.