CID 175833

99313-47-0

Structural Information

Molecular Formula
C16H25N2O4PS
SMILES
CCCCCCCCCNP1(=S)OCC2=C(O1)C=CC(=C2)[N+](=O)[O-]
InChI
InChI=1S/C16H25N2O4PS/c1-2-3-4-5-6-7-8-11-17-23(24)21-13-14-12-15(18(19)20)9-10-16(14)22-23/h9-10,12H,2-8,11,13H2,1H3,(H,17,24)
InChIKey
NUWUCZXYNLZSGN-UHFFFAOYSA-N
Compound name
6-nitro-N-nonyl-2-sulfanylidene-4H-1,3,2lambda5-benzodioxaphosphinin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

372.12726 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 373.13454 183.4
[M+Na]+ 395.11648 186.4
[M-H]- 371.11998 186.5
[M+NH4]+ 390.16108 195.6
[M+K]+ 411.09042 180.6
[M+H-H2O]+ 355.12452 178.1
[M+HCOO]- 417.12546 203.6
[M+CH3COO]- 431.14111 212.9
[M+Na-2H]- 393.10193 187.7
[M]+ 372.12671 186.4
[M]- 372.12781 186.4
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.