CID 4310100

Bis-(3-nitrophenyl)-methylphosphine oxide

Structural Information

Molecular Formula
C13H11N2O5P
SMILES
CP(=O)(C1=CC=CC(=C1)[N+](=O)[O-])C2=CC=CC(=C2)[N+](=O)[O-]
InChI
InChI=1S/C13H11N2O5P/c1-21(20,12-6-2-4-10(8-12)14(16)17)13-7-3-5-11(9-13)15(18)19/h2-9H,1H3
InChIKey
WCWJDBLSRZWRFC-UHFFFAOYSA-N
Compound name
1-[methyl-(3-nitrophenyl)phosphoryl]-3-nitrobenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

306.04056 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.04784 164.6
[M+Na]+ 329.02978 169.6
[M-H]- 305.03328 170.8
[M+NH4]+ 324.07438 177.4
[M+K]+ 345.00372 159.4
[M+H-H2O]+ 289.03782 163.9
[M+HCOO]- 351.03876 194.1
[M+CH3COO]- 365.05441 193.0
[M+Na-2H]- 327.01523 173.2
[M]+ 306.04001 162.5
[M]- 306.04111 162.5
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

patents stripe