CID 4533558

4'-nitro-m-terphenyl

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

1
References

5
Patents

275.09464 Da
Monoisotopic Mass

5.0
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