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]+ 239.10666 151.8
[M+Na]+ 261.08860 157.9
[M-H]- 237.09210 159.4
[M+NH4]+ 256.13320 168.5
[M+K]+ 277.06254 155.3
[M+H-H2O]+ 221.09664 144.1
[M+HCOO]- 283.09758 171.2
[M+CH3COO]- 297.11323 164.0
[M+Na-2H]- 259.07405 158.8
[M]+ 238.09883 149.9
[M]- 238.09993 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.