CID 245177

7597-40-2

Structural Information

Molecular Formula
C12H10N3O3P
SMILES
C1=CC=C2C(=C1)NP(=O)(N2)C3=CC=C(C=C3)[N+](=O)[O-]
InChI
InChI=1S/C12H10N3O3P/c16-15(17)9-5-7-10(8-6-9)19(18)13-11-3-1-2-4-12(11)14-19/h1-8H,(H2,13,14,18)
InChIKey
FJZOMILCYLJCHO-UHFFFAOYSA-N
Compound name
2-(4-nitrophenyl)-1,3-dihydro-1,3,2lambda5-benzodiazaphosphole 2-oxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

275.046 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.05328 155.0
[M+Na]+ 298.03522 161.8
[M-H]- 274.03872 156.9
[M+NH4]+ 293.07982 171.0
[M+K]+ 314.00916 153.0
[M+H-H2O]+ 258.04326 149.5
[M+HCOO]- 320.04420 179.9
[M+CH3COO]- 334.05985 185.2
[M+Na-2H]- 296.02067 161.1
[M]+ 275.04545 150.1
[M]- 275.04655 150.1
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.