CID 3029190

Methanone, (3,4-dihydro-2h-1-benzopyran-6-yl)phenyl-

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]+ 239.106656 151.8
[M+Na]+ 261.088598 157.9
[M-H]- 237.092104 159.4
[M+NH4]+ 256.133203 168.5
[M+K]+ 277.062538 155.3
[M+H-H2O]+ 221.096640 144.1
[M+HCOO]- 283.097581 171.2
[M+CH3COO]- 297.113231 164.0
[M+Na-2H]- 259.074046 158.8
[M]+ 238.09883142 149.9
[M]- 238.09992858 149.9
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.