CID 84585

14667-53-9

Structural Information

Molecular Formula
C10H11ClNO4PS
SMILES
CP(=S)(OCC(=C)Cl)OC1=CC=C(C=C1)[N+](=O)[O-]
InChI
InChI=1S/C10H11ClNO4PS/c1-8(11)7-15-17(2,18)16-10-5-3-9(4-6-10)12(13)14/h3-6H,1,7H2,2H3
InChIKey
RXANTKIKQXIXAB-UHFFFAOYSA-N
Compound name
2-chloroprop-2-enoxy-methyl-(4-nitrophenoxy)-sulfanylidene-lambda5-phosphane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

306.9835 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.99078 158.3
[M+Na]+ 329.97272 169.6
[M+NH4]+ 325.01732 165.0
[M+K]+ 345.94666 165.5
[M-H]- 305.97622 159.4
[M+Na-2H]- 327.95817 162.6
[M]+ 306.98295 160.7
[M]- 306.98405 160.7
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.