CID 3793577

2,6-bis(4-bromophenyl)-4-phenylpyran-1-ylium tetrafluoroborate

Structural Information

Molecular Formula
C23H15Br2O
SMILES
C1=CC=C(C=C1)C2=CC(=[O+]C(=C2)C3=CC=C(C=C3)Br)C4=CC=C(C=C4)Br
InChI
InChI=1S/C23H15Br2O/c24-20-10-6-17(7-11-20)22-14-19(16-4-2-1-3-5-16)15-23(26-22)18-8-12-21(25)13-9-18/h1-15H/q+1
InChIKey
UTVPDWSQJGLBHA-UHFFFAOYSA-N
Compound name
2,6-bis(4-bromophenyl)-4-phenylpyrylium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

464.94897 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 465.95625 196.4
[M+Na]+ 487.93819 204.9
[M-H]- 463.94169 210.1
[M+NH4]+ 482.98279 208.1
[M+K]+ 503.91213 187.1
[M+H-H2O]+ 447.94623 204.6
[M+HCOO]- 509.94717 210.7
[M+CH3COO]- 523.96282 207.3
[M+Na-2H]- 485.92364 201.9
[M]+ 464.94842 229.7
[M]- 464.94952 229.7
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