CID 59490160

(r)-4-(2-fluorophenyl)-3,4-dihydronaphthalen-1(2h)-one

Structural Information

Molecular Formula
C16H13FO
SMILES
C1CC(=O)C2=CC=CC=C2[C@@H]1C3=CC=CC=C3F
InChI
InChI=1S/C16H13FO/c17-15-8-4-3-6-13(15)12-9-10-16(18)14-7-2-1-5-11(12)14/h1-8,12H,9-10H2/t12-/m1/s1
InChIKey
UQEMVIDJUWWBHF-GFCCVEGCSA-N
Compound name
(4R)-4-(2-fluorophenyl)-3,4-dihydro-2H-naphthalen-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

34
Patents

240.09505 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.10233 151.4
[M+Na]+ 263.08427 159.6
[M-H]- 239.08777 157.6
[M+NH4]+ 258.12887 169.9
[M+K]+ 279.05821 154.4
[M+H-H2O]+ 223.09231 143.0
[M+HCOO]- 285.09325 171.3
[M+CH3COO]- 299.10890 163.8
[M+Na-2H]- 261.06972 156.7
[M]+ 240.09450 147.7
[M]- 240.09560 147.7
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

patents stripe