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 174.7
[M+Na]+ 329.02978 181.4
[M+NH4]+ 324.07438 184.1
[M+K]+ 345.00372 190.4
[M-H]- 305.03328 172.0
[M+Na-2H]- 327.01523 174.3
[M]+ 306.04001 177.4
[M]- 306.04111 177.4
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