CID 3073220

(2,3-dihydro-2-methyl-5-benzofuranyl)phenylmethanone

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]+ 239.10666 152.6
[M+Na]+ 261.08860 160.7
[M-H]- 237.09210 161.1
[M+NH4]+ 256.13320 171.7
[M+K]+ 277.06254 157.9
[M+H-H2O]+ 221.09664 146.2
[M+HCOO]- 283.09758 174.3
[M+CH3COO]- 297.11323 166.0
[M+Na-2H]- 259.07405 157.2
[M]+ 238.09883 153.5
[M]- 238.09993 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.