CID 223402

Tris(p-nitrophenyl)methane

Structural Information

Molecular Formula
C19H13N3O6
SMILES
C1=CC(=CC=C1C(C2=CC=C(C=C2)[N+](=O)[O-])C3=CC=C(C=C3)[N+](=O)[O-])[N+](=O)[O-]
InChI
InChI=1S/C19H13N3O6/c23-20(24)16-7-1-13(2-8-16)19(14-3-9-17(10-4-14)21(25)26)15-5-11-18(12-6-15)22(27)28/h1-12,19H
InChIKey
GFDFIMKBMBRKCK-UHFFFAOYSA-N
Compound name
1-[bis(4-nitrophenyl)methyl]-4-nitrobenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

331
Patents

379.08044 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 380.08772 184.7
[M+Na]+ 402.06966 190.3
[M+NH4]+ 397.11426 193.0
[M+K]+ 418.04360 198.5
[M-H]- 378.07316 181.7
[M+Na-2H]- 400.05511 182.4
[M]+ 379.07989 186.7
[M]- 379.08099 186.7
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