CID 75504

2425-19-6

Structural Information

Molecular Formula
C9H11ClNO4PS
SMILES
CCOP(=S)(CCl)OC1=CC=C(C=C1)[N+](=O)[O-]
InChI
InChI=1S/C9H11ClNO4PS/c1-2-14-16(17,7-10)15-9-5-3-8(4-6-9)11(12)13/h3-6H,2,7H2,1H3
InChIKey
IDSATHNHWPBOFA-UHFFFAOYSA-N
Compound name
chloromethyl-ethoxy-(4-nitrophenoxy)-sulfanylidene-lambda5-phosphane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

294.9835 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.99078 156.7
[M+Na]+ 317.97272 163.7
[M-H]- 293.97622 159.8
[M+NH4]+ 313.01732 173.2
[M+K]+ 333.94666 156.2
[M+H-H2O]+ 277.98076 154.0
[M+HCOO]- 339.98170 177.2
[M+CH3COO]- 353.99735 191.6
[M+Na-2H]- 315.95817 160.7
[M]+ 294.98295 162.0
[M]- 294.98405 162.0
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

patents stripe