CID 78781

2-phenylpyrene

Structural Information

Molecular Formula
C22H14
SMILES
C1=CC=C(C=C1)C2=CC3=C4C(=C2)C=CC5=C4C(=CC=C5)C=C3
InChI
InChI=1S/C22H14/c1-2-5-15(6-3-1)20-13-18-11-9-16-7-4-8-17-10-12-19(14-20)22(18)21(16)17/h1-14H
InChIKey
CCIRWPQIFNLNMJ-UHFFFAOYSA-N
Compound name
2-phenylpyrene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

348
Patents

278.10956 Da
Monoisotopic Mass

6.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.116836 164.0
[M+Na]+ 301.098778 173.4
[M-H]- 277.102284 172.1
[M+NH4]+ 296.143383 183.0
[M+K]+ 317.072718 165.9
[M+H-H2O]+ 261.106820 154.4
[M+HCOO]- 323.107761 184.4
[M+CH3COO]- 337.123411 176.1
[M+Na-2H]- 299.084226 174.9
[M]+ 278.10901142 166.0
[M]- 278.11010858 166.0
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