CID 10185371

Tetrakis(4-nitrophenyl)methane

Structural Information

Molecular Formula
C25H16N4O8
SMILES
C1=CC(=CC=C1C(C2=CC=C(C=C2)[N+](=O)[O-])(C3=CC=C(C=C3)[N+](=O)[O-])C4=CC=C(C=C4)[N+](=O)[O-])[N+](=O)[O-]
InChI
InChI=1S/C25H16N4O8/c30-26(31)21-9-1-17(2-10-21)25(18-3-11-22(12-4-18)27(32)33,19-5-13-23(14-6-19)28(34)35)20-7-15-24(16-8-20)29(36)37/h1-16H
InChIKey
XVFUQPAZKCFNTH-UHFFFAOYSA-N
Compound name
1-nitro-4-[tris(4-nitrophenyl)methyl]benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

38
Patents

500.0968 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 501.10408 205.9
[M+Na]+ 523.08602 210.4
[M+NH4]+ 518.13062 213.8
[M+K]+ 539.05996 218.0
[M-H]- 499.08952 204.6
[M+Na-2H]- 521.07147 203.1
[M]+ 500.09625 208.3
[M]- 500.09735 208.3
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