CID 3073222

(2,3-dihydro-2-methyl-5-benzofuranyl)(4-fluorophenyl)methanone

Structural Information

Molecular Formula
C16H13FO2
SMILES
CC1CC2=C(O1)C=CC(=C2)C(=O)C3=CC=C(C=C3)F
InChI
InChI=1S/C16H13FO2/c1-10-8-13-9-12(4-7-15(13)19-10)16(18)11-2-5-14(17)6-3-11/h2-7,9-10H,8H2,1H3
InChIKey
FTXAULGMALFERT-UHFFFAOYSA-N
Compound name
(4-fluorophenyl)-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

256.08997 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.09725 155.6
[M+Na]+ 279.07919 164.7
[M-H]- 255.08269 163.1
[M+NH4]+ 274.12379 174.2
[M+K]+ 295.05313 161.4
[M+H-H2O]+ 239.08723 148.4
[M+HCOO]- 301.08817 176.2
[M+CH3COO]- 315.10382 168.7
[M+Na-2H]- 277.06464 158.9
[M]+ 256.08942 155.8
[M]- 256.09052 155.8
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.