CID 70662

1085-34-3

Structural Information

Molecular Formula
C10H14NO4PS
SMILES
CCCOP(=S)(C)OC1=CC=C(C=C1)[N+](=O)[O-]
InChI
InChI=1S/C10H14NO4PS/c1-3-8-14-16(2,17)15-10-6-4-9(5-7-10)11(12)13/h4-7H,3,8H2,1-2H3
InChIKey
CUONSTMEQBVTLL-UHFFFAOYSA-N
Compound name
methyl-(4-nitrophenoxy)-propoxy-sulfanylidene-lambda5-phosphane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

275.03812 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.04540 156.7
[M+Na]+ 298.02734 162.8
[M-H]- 274.03084 159.5
[M+NH4]+ 293.07194 173.1
[M+K]+ 314.00128 156.6
[M+H-H2O]+ 258.03538 152.5
[M+HCOO]- 320.03632 181.3
[M+CH3COO]- 334.05197 190.8
[M+Na-2H]- 296.01279 160.4
[M]+ 275.03757 160.4
[M]- 275.03867 160.4
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