CID 256832

1,3,6,8-tetraphenylpyrene

Structural Information

Molecular Formula
C40H26
SMILES
C1=CC=C(C=C1)C2=CC(=C3C=CC4=C(C=C(C5=C4C3=C2C=C5)C6=CC=CC=C6)C7=CC=CC=C7)C8=CC=CC=C8
InChI
InChI=1S/C40H26/c1-5-13-27(14-6-1)35-25-36(28-15-7-2-8-16-28)32-23-24-34-38(30-19-11-4-12-20-30)26-37(29-17-9-3-10-18-29)33-22-21-31(35)39(32)40(33)34/h1-26H
InChIKey
SIJHJHYRYHIWFW-UHFFFAOYSA-N
Compound name
1,3,6,8-tetraphenylpyrene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

620
Patents

506.20346 Da
Monoisotopic Mass

11.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 507.21074 232.6
[M+Na]+ 529.19268 238.7
[M-H]- 505.19618 246.6
[M+NH4]+ 524.23728 239.4
[M+K]+ 545.16662 227.7
[M+H-H2O]+ 489.20072 215.5
[M+HCOO]- 551.20166 247.8
[M+CH3COO]- 565.21731 238.4
[M+Na-2H]- 527.17813 236.1
[M]+ 506.20291 231.1
[M]- 506.20401 231.1
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