CID 97430

1,2,3-triphenylcyclopropene

Structural Information

Molecular Formula
C21H16
SMILES
C1=CC=C(C=C1)C2C(=C2C3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C21H16/c1-4-10-16(11-5-1)19-20(17-12-6-2-7-13-17)21(19)18-14-8-3-9-15-18/h1-15,19H
InChIKey
UFTDGVXRVMJEDI-UHFFFAOYSA-N
Compound name
(2,3-diphenylcyclopropen-1-yl)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

3
Patents

268.1252 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.13248 156.7
[M+Na]+ 291.11442 166.3
[M-H]- 267.11792 169.8
[M+NH4]+ 286.15902 168.0
[M+K]+ 307.08836 160.6
[M+H-H2O]+ 251.12246 147.9
[M+HCOO]- 313.12340 182.4
[M+CH3COO]- 327.13905 169.4
[M+Na-2H]- 289.09987 163.7
[M]+ 268.12465 158.4
[M]- 268.12575 158.4
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