CID 5252826

35096-76-5

Structural Information

Molecular Formula
C25H17O
SMILES
C1=CC=C(C=C1)C2=CC(=[O+]C3=C2C=CC4=CC=CC=C43)C5=CC=CC=C5
InChI
InChI=1S/C25H17O/c1-3-9-18(10-4-1)23-17-24(20-12-5-2-6-13-20)26-25-21-14-8-7-11-19(21)15-16-22(23)25/h1-17H/q+1
InChIKey
IWSWZTNXYYHDJK-UHFFFAOYSA-N
Compound name
2,4-diphenylbenzo[h]chromen-1-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

333.12793 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 334.13521 185.7
[M+Na]+ 356.11715 194.5
[M-H]- 332.12065 197.9
[M+NH4]+ 351.16175 198.7
[M+K]+ 372.09109 182.7
[M+H-H2O]+ 316.12519 177.2
[M+HCOO]- 378.12613 206.4
[M+CH3COO]- 392.14178 196.6
[M+Na-2H]- 354.10260 196.2
[M]+ 333.12738 185.9
[M]- 333.12848 185.9
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.