CID 3598573

2,3,4,5,6-pentaphenylthiopyrylium tetrafluoroborate

Structural Information

Molecular Formula
C35H25S
SMILES
C1=CC=C(C=C1)C2=C(C(=[S+]C(=C2C3=CC=CC=C3)C4=CC=CC=C4)C5=CC=CC=C5)C6=CC=CC=C6
InChI
InChI=1S/C35H25S/c1-6-16-26(17-7-1)31-32(27-18-8-2-9-19-27)34(29-22-12-4-13-23-29)36-35(30-24-14-5-15-25-30)33(31)28-20-10-3-11-21-28/h1-25H/q+1
InChIKey
ODWVFZMUGAJBBU-UHFFFAOYSA-N
Compound name
2,3,4,5,6-pentakis-phenylthiopyrylium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

477.1677 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 478.17498 228.4
[M+Na]+ 500.15692 234.1
[M-H]- 476.16042 244.9
[M+NH4]+ 495.20152 234.0
[M+K]+ 516.13086 218.3
[M+H-H2O]+ 460.16496 217.0
[M+HCOO]- 522.16590 244.0
[M+CH3COO]- 536.18155 235.0
[M+Na-2H]- 498.14237 229.9
[M]+ 477.16715 224.9
[M]- 477.16825 224.9
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

No patent data available for this compound.