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]+ 313.12230 173.6
[M+Na]+ 335.10424 181.5
[M-H]- 311.10774 184.7
[M+NH4]+ 330.14884 187.2
[M+K]+ 351.07818 176.5
[M+H-H2O]+ 295.11228 163.8
[M+HCOO]- 357.11322 194.4
[M+CH3COO]- 371.12887 185.2
[M+Na-2H]- 333.08969 180.0
[M]+ 312.11447 173.6
[M]- 312.11557 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.