CID 11672960

874819-71-3

Structural Information

Molecular Formula
C6H9N4O3P
SMILES
C1=CC=C(C(=C1)NP(=O)(N)N)[N+](=O)[O-]
InChI
InChI=1S/C6H9N4O3P/c7-14(8,13)9-5-3-1-2-4-6(5)10(11)12/h1-4H,(H5,7,8,9,13)
InChIKey
GDPVISFVPDYFPN-UHFFFAOYSA-N
Compound name
N-diaminophosphoryl-2-nitroaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

411
Patents

216.04123 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.04851 137.1
[M+Na]+ 239.03045 142.7
[M-H]- 215.03395 139.2
[M+NH4]+ 234.07505 153.7
[M+K]+ 255.00439 137.3
[M+H-H2O]+ 199.03849 133.2
[M+HCOO]- 261.03943 169.3
[M+CH3COO]- 275.05508 186.0
[M+Na-2H]- 237.01590 144.6
[M]+ 216.04068 132.2
[M]- 216.04178 132.2
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

patents stripe