CID 2835574

2,4-diphenyl-4h-chromene-3-carbaldehyde

Structural Information

Molecular Formula
C22H16O2
SMILES
C1=CC=C(C=C1)C2C3=CC=CC=C3OC(=C2C=O)C4=CC=CC=C4
InChI
InChI=1S/C22H16O2/c23-15-19-21(16-9-3-1-4-10-16)18-13-7-8-14-20(18)24-22(19)17-11-5-2-6-12-17/h1-15,21H
InChIKey
OBQFMXJVCSSDCG-UHFFFAOYSA-N
Compound name
2,4-diphenyl-4H-chromene-3-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

312.11502 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.122296 173.6
[M+Na]+ 335.104238 181.5
[M-H]- 311.107744 184.7
[M+NH4]+ 330.148843 187.2
[M+K]+ 351.078178 176.5
[M+H-H2O]+ 295.112280 163.8
[M+HCOO]- 357.113221 194.4
[M+CH3COO]- 371.128871 185.2
[M+Na-2H]- 333.089686 180.0
[M]+ 312.11447142 173.6
[M]- 312.11556858 173.6
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.