CID 4232224

35096-85-6

Structural Information

Molecular Formula
C21H15O
SMILES
C1=CC=C(C=C1)C2=CC3=CC=CC=C3C(=[O+]2)C4=CC=CC=C4
InChI
InChI=1S/C21H15O/c1-3-9-16(10-4-1)20-15-18-13-7-8-14-19(18)21(22-20)17-11-5-2-6-12-17/h1-15H/q+1
InChIKey
XTZPRQVOGUSOGU-UHFFFAOYSA-N
Compound name
1,3-diphenylisochromenylium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

283.1123 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.11958 170.4
[M+Na]+ 306.10152 178.2
[M-H]- 282.10502 181.7
[M+NH4]+ 301.14612 184.7
[M+K]+ 322.07546 167.7
[M+H-H2O]+ 266.10956 163.4
[M+HCOO]- 328.11050 192.0
[M+CH3COO]- 342.12615 182.1
[M+Na-2H]- 304.08697 180.6
[M]+ 283.11175 169.2
[M]- 283.11285 169.2
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.