CID 1900999

2,6-diphenyl-4-(p-tolyl)pyrylium tetrafluoroborate

Structural Information

Molecular Formula
C24H19O
SMILES
CC1=CC=C(C=C1)C2=CC(=[O+]C(=C2)C3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C24H19O/c1-18-12-14-19(15-13-18)22-16-23(20-8-4-2-5-9-20)25-24(17-22)21-10-6-3-7-11-21/h2-17H,1H3/q+1
InChIKey
PEXHPMSDULPQLT-UHFFFAOYSA-N
Compound name
4-(4-methylphenyl)-2,6-diphenylpyrylium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

323.1436 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.15088 184.9
[M+Na]+ 346.13282 192.1
[M-H]- 322.13632 198.2
[M+NH4]+ 341.17742 196.4
[M+K]+ 362.10676 181.1
[M+H-H2O]+ 306.14086 176.8
[M+HCOO]- 368.14180 206.7
[M+CH3COO]- 382.15745 203.3
[M+Na-2H]- 344.11827 191.9
[M]+ 323.14305 183.6
[M]- 323.14415 183.6
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

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