CID 208501

32306-22-2

Structural Information

Molecular Formula
C13H15ClNO4PS
SMILES
CCOP(=S)(OCC)OC1=NOC(=C1Cl)C2=CC=CC=C2
InChI
InChI=1S/C13H15ClNO4PS/c1-3-16-20(21,17-4-2)19-13-11(14)12(18-15-13)10-8-6-5-7-9-10/h5-9H,3-4H2,1-2H3
InChIKey
VZPJAVWCVPDIBM-UHFFFAOYSA-N
Compound name
(4-chloro-5-phenyl-1,2-oxazol-3-yl)oxy-diethoxy-sulfanylidene-lambda5-phosphane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

347.0148 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 348.02208 173.7
[M+Na]+ 370.00402 182.9
[M-H]- 346.00752 179.6
[M+NH4]+ 365.04862 188.4
[M+K]+ 385.97796 180.3
[M+H-H2O]+ 330.01206 164.9
[M+HCOO]- 392.01300 192.5
[M+CH3COO]- 406.02865 205.9
[M+Na-2H]- 367.98947 173.4
[M]+ 347.01425 184.3
[M]- 347.01535 184.3
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.