CID 2735032

2,2-diphenyl-1-picrylhydrazyl

Structural Information

Molecular Formula
C18H12N5O6
SMILES
C1=CC=C(C=C1)N(C2=CC=CC=C2)[N]C3=C(C=C(C=C3[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]
InChI
InChI=1S/C18H12N5O6/c24-21(25)15-11-16(22(26)27)18(17(12-15)23(28)29)19-20(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-12H
InChIKey
HHEAADYXPMHMCT-UHFFFAOYSA-N
Compound name
None
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

5933
References

8
Patents

394.07877 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 395.08605 188.9
[M+Na]+ 417.06799 188.7
[M-H]- 393.07149 199.0
[M+NH4]+ 412.11259 195.1
[M+K]+ 433.04193 175.5
[M+H-H2O]+ 377.07603 189.5
[M+HCOO]- 439.07697 215.5
[M+CH3COO]- 453.09262 214.8
[M+Na-2H]- 415.05344 198.5
[M]+ 394.07822 184.1
[M]- 394.07932 184.1
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