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 153.9
[M+Na]+ 300.00662 161.0
[M-H]- 276.01012 157.2
[M+NH4]+ 295.05122 170.4
[M+K]+ 315.98056 155.6
[M+H-H2O]+ 260.01466 149.9
[M+HCOO]- 322.01560 179.0
[M+CH3COO]- 336.03125 191.0
[M+Na-2H]- 297.99207 158.1
[M]+ 277.01685 159.0
[M]- 277.01795 159.0
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.