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 159.5
[M+Na]+ 329.97272 166.1
[M-H]- 305.97622 162.5
[M+NH4]+ 325.01732 175.4
[M+K]+ 345.94666 158.2
[M+H-H2O]+ 289.98076 156.8
[M+HCOO]- 351.98170 178.9
[M+CH3COO]- 365.99735 194.1
[M+Na-2H]- 327.95817 162.1
[M]+ 306.98295 164.0
[M]- 306.98405 164.0
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.