CID 458268

2,3,6-triphenylpyrylium ferrichloride

Structural Information

Molecular Formula
C23H17O
SMILES
C1=CC=C(C=C1)C2=C([O+]=C(C=C2)C3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C23H17O/c1-4-10-18(11-5-1)21-16-17-22(19-12-6-2-7-13-19)24-23(21)20-14-8-3-9-15-20/h1-17H/q+1
InChIKey
IUESIWHBEBNMPM-UHFFFAOYSA-N
Compound name
2,3,6-triphenylpyrylium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

309.12793 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.13521 180.1
[M+Na]+ 332.11715 186.9
[M-H]- 308.12065 193.2
[M+NH4]+ 327.16175 191.8
[M+K]+ 348.09109 176.0
[M+H-H2O]+ 292.12519 172.1
[M+HCOO]- 354.12613 202.3
[M+CH3COO]- 368.14178 191.0
[M+Na-2H]- 330.10260 188.4
[M]+ 309.12738 178.1
[M]- 309.12848 178.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe