CID 205227

17650-80-5

Structural Information

Molecular Formula
C9H12NO5PS
SMILES
CC1=C(C=C(C=C1)OP(=S)(OC)OC)[N+](=O)[O-]
InChI
InChI=1S/C9H12NO5PS/c1-7-4-5-8(6-9(7)10(11)12)15-16(17,13-2)14-3/h4-6H,1-3H3
InChIKey
MTVIDICTBOORCX-UHFFFAOYSA-N
Compound name
dimethoxy-(4-methyl-3-nitrophenoxy)-sulfanylidene-lambda5-phosphane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

277.0174 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.02468 152.7
[M+Na]+ 300.00662 163.6
[M+NH4]+ 295.05122 159.2
[M+K]+ 315.98056 160.6
[M-H]- 276.01012 153.9
[M+Na-2H]- 297.99207 156.9
[M]+ 277.01685 154.8
[M]- 277.01795 154.8
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.