CID 87580

18313-91-2

Structural Information

Molecular Formula
C11H16NO4PS
SMILES
CCOP(=S)(CC)OC1=CC=CC(=C1C)[N+](=O)[O-]
InChI
InChI=1S/C11H16NO4PS/c1-4-15-17(18,5-2)16-11-8-6-7-10(9(11)3)12(13)14/h6-8H,4-5H2,1-3H3
InChIKey
QUJSLFBJDWGGJL-UHFFFAOYSA-N
Compound name
ethoxy-ethyl-(2-methyl-3-nitrophenoxy)-sulfanylidene-lambda5-phosphane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

289.05377 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.06105 160.6
[M+Na]+ 312.04299 167.1
[M-H]- 288.04649 163.6
[M+NH4]+ 307.08759 176.7
[M+K]+ 328.01693 160.7
[M+H-H2O]+ 272.05103 156.5
[M+HCOO]- 334.05197 184.8
[M+CH3COO]- 348.06762 195.0
[M+Na-2H]- 310.02844 163.3
[M]+ 289.05322 165.0
[M]- 289.05432 165.0
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.