CID 3073220

147394-57-8

Structural Information

Molecular Formula
C16H14O2
SMILES
CC1CC2=C(O1)C=CC(=C2)C(=O)C3=CC=CC=C3
InChI
InChI=1S/C16H14O2/c1-11-9-14-10-13(7-8-15(14)18-11)16(17)12-5-3-2-4-6-12/h2-8,10-11H,9H2,1H3
InChIKey
HMFIAPZAWRCCGB-UHFFFAOYSA-N
Compound name
(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-phenylmethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

238.09938 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.106656 152.6
[M+Na]+ 261.088598 160.7
[M-H]- 237.092104 161.1
[M+NH4]+ 256.133203 171.7
[M+K]+ 277.062538 157.9
[M+H-H2O]+ 221.096640 146.2
[M+HCOO]- 283.097581 174.3
[M+CH3COO]- 297.113231 166.0
[M+Na-2H]- 259.074046 157.2
[M]+ 238.09883142 153.5
[M]- 238.09992858 153.5
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.