CID 3791643

6-methyl-4-phenyl-3,4-dihydrochromen-2-one

Structural Information

Molecular Formula
C16H14O2
SMILES
CC1=CC2=C(C=C1)OC(=O)CC2C3=CC=CC=C3
InChI
InChI=1S/C16H14O2/c1-11-7-8-15-14(9-11)13(10-16(17)18-15)12-5-3-2-4-6-12/h2-9,13H,10H2,1H3
InChIKey
SUHIZPDCJOQZLN-UHFFFAOYSA-N
Compound name
6-methyl-4-phenyl-3,4-dihydrochromen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

177
Patents

238.09938 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.10666 151.5
[M+Na]+ 261.08860 159.9
[M-H]- 237.09210 159.9
[M+NH4]+ 256.13320 169.0
[M+K]+ 277.06254 156.8
[M+H-H2O]+ 221.09664 144.1
[M+HCOO]- 283.09758 171.9
[M+CH3COO]- 297.11323 164.6
[M+Na-2H]- 259.07405 158.3
[M]+ 238.09883 151.1
[M]- 238.09993 151.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe