CID 81954

Phenyl phosphorodiamidate

Structural Information

Molecular Formula
C6H9N2O2P
SMILES
C1=CC=C(C=C1)OP(=O)(N)N
InChI
InChI=1S/C6H9N2O2P/c7-11(8,9)10-6-4-2-1-3-5-6/h1-5H,(H4,7,8,9)
InChIKey
AYRRNFHDJUXLEQ-UHFFFAOYSA-N
Compound name
diaminophosphoryloxybenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

14
References

1142
Patents

172.04016 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.04744 134.8
[M+Na]+ 195.02938 141.7
[M-H]- 171.03288 136.5
[M+NH4]+ 190.07398 154.3
[M+K]+ 211.00332 140.3
[M+H-H2O]+ 155.03742 126.7
[M+HCOO]- 217.03836 165.1
[M+CH3COO]- 231.05401 181.3
[M+Na-2H]- 193.01483 139.7
[M]+ 172.03961 132.9
[M]- 172.04071 132.9
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