CID 9574221

Pnhppg

Structural Information

Molecular Formula
CH7N2O11P3
SMILES
C(=N\OP(=O)(O)O)(\N)/OP(=O)(O)OP(=O)(O)O
InChI
InChI=1S/CH7N2O11P3/c2-1(3-13-15(4,5)6)12-17(10,11)14-16(7,8)9/h(H2,2,3)(H,10,11)(H2,4,5,6)(H2,7,8,9)
InChIKey
WJTDKWIWJAQIAD-UHFFFAOYSA-N
Compound name
[hydroxy(phosphonooxy)phosphoryl] N'-phosphonooxycarbamimidate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

315.92627 Da
Monoisotopic Mass

-4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 316.93355 163.3
[M+Na]+ 338.91549 166.3
[M-H]- 314.91899 171.4
[M+NH4]+ 333.96009 163.9
[M+K]+ 354.88943 151.4
[M+H-H2O]+ 298.92353 136.2
[M+HCOO]- 360.92447 178.3
[M+CH3COO]- 374.94012 196.3
[M+Na-2H]- 336.90094 149.9
[M]+ 315.92572 155.0
[M]- 315.92682 155.0
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.