CID 3029190

6-chromanyl phenyl ketone

Structural Information

Molecular Formula
C16H14O2
SMILES
C1CC2=C(C=CC(=C2)C(=O)C3=CC=CC=C3)OC1
InChI
InChI=1S/C16H14O2/c17-16(12-5-2-1-3-6-12)14-8-9-15-13(11-14)7-4-10-18-15/h1-3,5-6,8-9,11H,4,7,10H2
InChIKey
KWCNVCDEENIFOA-UHFFFAOYSA-N
Compound name
3,4-dihydro-2H-chromen-6-yl(phenyl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

238.09938 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.10666 152.7
[M+Na]+ 261.08860 168.0
[M+NH4]+ 256.13320 162.7
[M+K]+ 277.06254 159.9
[M-H]- 237.09210 159.6
[M+Na-2H]- 259.07405 161.6
[M]+ 238.09883 157.0
[M]- 238.09993 157.0
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.