CID 175831

99300-64-8

Structural Information

Molecular Formula
C9H11N2O4PS
SMILES
CN(C)P1(=S)OCC2=C(O1)C=CC(=C2)[N+](=O)[O-]
InChI
InChI=1S/C9H11N2O4PS/c1-10(2)16(17)14-6-7-5-8(11(12)13)3-4-9(7)15-16/h3-5H,6H2,1-2H3
InChIKey
CAXSOCSELKTOFO-UHFFFAOYSA-N
Compound name
N,N-dimethyl-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

274.0177 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.02498 150.2
[M+Na]+ 297.00692 156.6
[M-H]- 273.01042 156.3
[M+NH4]+ 292.05152 167.1
[M+K]+ 312.98086 153.7
[M+H-H2O]+ 257.01496 146.3
[M+HCOO]- 319.01590 173.3
[M+CH3COO]- 333.03155 195.1
[M+Na-2H]- 294.99237 157.3
[M]+ 274.01715 152.3
[M]- 274.01825 152.3
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.