CID 5271522

2-(4-iodophenyl)chroman-4-one

Structural Information

Molecular Formula
C15H11IO2
SMILES
C1C(OC2=CC=CC=C2C1=O)C3=CC=C(C=C3)I
InChI
InChI=1S/C15H11IO2/c16-11-7-5-10(6-8-11)15-9-13(17)12-3-1-2-4-14(12)18-15/h1-8,15H,9H2
InChIKey
PLYYYQFSLRYNFL-UHFFFAOYSA-N
Compound name
2-(4-iodophenyl)-2,3-dihydrochromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

349.98038 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 350.98766 157.6
[M+Na]+ 372.96960 158.8
[M-H]- 348.97310 158.2
[M+NH4]+ 368.01420 169.8
[M+K]+ 388.94354 161.6
[M+H-H2O]+ 332.97764 146.4
[M+HCOO]- 394.97858 172.9
[M+CH3COO]- 408.99423 166.0
[M+Na-2H]- 370.95505 152.8
[M]+ 349.97983 154.1
[M]- 349.98093 154.1
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