CID 175824

99300-57-9

Structural Information

Molecular Formula
C11H15N2O4PS
SMILES
CCN(CC)P1(=S)OCC2=C(O1)C=CC(=C2)[N+](=O)[O-]
InChI
InChI=1S/C11H15N2O4PS/c1-3-12(4-2)18(19)16-8-9-7-10(13(14)15)5-6-11(9)17-18/h5-7H,3-4,8H2,1-2H3
InChIKey
RFKJUUCIILYXBE-UHFFFAOYSA-N
Compound name
N,N-diethyl-6-nitro-2-sulfanylidene-4H-1,3,2lambda5-benzodioxaphosphinin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

302.049 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.05628 160.0
[M+Na]+ 325.03822 165.4
[M-H]- 301.04172 165.7
[M+NH4]+ 320.08282 175.7
[M+K]+ 341.01216 162.1
[M+H-H2O]+ 285.04626 155.7
[M+HCOO]- 347.04720 182.3
[M+CH3COO]- 361.06285 201.2
[M+Na-2H]- 323.02367 166.0
[M]+ 302.04845 162.7
[M]- 302.04955 162.7
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.