CID 175830

N-(1-methylethyl)-6-nitro-4h-1,3,2-benzodioxaphosphorin-2-amine 2-sulfide

Structural Information

Molecular Formula
C10H13N2O4PS
SMILES
CC(C)NP1(=S)OCC2=C(O1)C=CC(=C2)[N+](=O)[O-]
InChI
InChI=1S/C10H13N2O4PS/c1-7(2)11-17(18)15-6-8-5-9(12(13)14)3-4-10(8)16-17/h3-5,7H,6H2,1-2H3,(H,11,18)
InChIKey
BHMIEZASVUEXOJ-UHFFFAOYSA-N
Compound name
6-nitro-N-propan-2-yl-2-sulfanylidene-4H-1,3,2lambda5-benzodioxaphosphinin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

288.03336 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.04064 155.3
[M+Na]+ 311.02258 166.1
[M+NH4]+ 306.06718 164.1
[M+K]+ 326.99652 161.0
[M-H]- 287.02608 160.9
[M+Na-2H]- 309.00803 159.8
[M]+ 288.03281 158.7
[M]- 288.03391 158.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.