CID 66151

74-59-9

Structural Information

Molecular Formula
C12H18NO5PS
SMILES
CC(C)OP(=S)(OC1=CC=C(C=C1)[N+](=O)[O-])OC(C)C
InChI
InChI=1S/C12H18NO5PS/c1-9(2)16-19(20,17-10(3)4)18-12-7-5-11(6-8-12)13(14)15/h5-10H,1-4H3
InChIKey
HPRUXUNKZOGTDY-UHFFFAOYSA-N
Compound name
(4-nitrophenoxy)-di(propan-2-yloxy)-sulfanylidene-lambda5-phosphane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

319.06433 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 320.07161 167.5
[M+Na]+ 342.05355 171.9
[M-H]- 318.05705 170.0
[M+NH4]+ 337.09815 181.8
[M+K]+ 358.02749 166.9
[M+H-H2O]+ 302.06159 163.0
[M+HCOO]- 364.06253 189.6
[M+CH3COO]- 378.07818 200.2
[M+Na-2H]- 340.03900 168.8
[M]+ 319.06378 172.0
[M]- 319.06488 172.0
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