CID 25196

4-nitro-p-terphenyl

Structural Information

Molecular Formula
C18H13NO2
SMILES
C1=CC=C(C=C1)C2=CC=C(C=C2)C3=CC=C(C=C3)[N+](=O)[O-]
InChI
InChI=1S/C18H13NO2/c20-19(21)18-12-10-17(11-13-18)16-8-6-15(7-9-16)14-4-2-1-3-5-14/h1-13H
InChIKey
IMMGNSJGTWWGJB-UHFFFAOYSA-N
Compound name
1-(4-nitrophenyl)-4-phenylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

45
Patents

275.09464 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.10192 162.9
[M+Na]+ 298.08386 169.0
[M-H]- 274.08736 172.5
[M+NH4]+ 293.12846 177.3
[M+K]+ 314.05780 160.0
[M+H-H2O]+ 258.09190 158.3
[M+HCOO]- 320.09284 188.0
[M+CH3COO]- 334.10849 194.1
[M+Na-2H]- 296.06931 170.4
[M]+ 275.09409 160.3
[M]- 275.09519 160.3
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