CID 204237

Brn 1594955

Structural Information

Molecular Formula
C18H16Cl2FNO
SMILES
C1C2=CC(=C(C=C2CN1CCCC(=O)C3=CC=C(C=C3)F)Cl)Cl
InChI
InChI=1S/C18H16Cl2FNO/c19-16-8-13-10-22(11-14(13)9-17(16)20)7-1-2-18(23)12-3-5-15(21)6-4-12/h3-6,8-9H,1-2,7,10-11H2
InChIKey
LMGZHBAWSHWFFH-UHFFFAOYSA-N
Compound name
4-(5,6-dichloro-1,3-dihydroisoindol-2-yl)-1-(4-fluorophenyl)butan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

351.0593 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 352.06658 177.2
[M+Na]+ 374.04852 192.0
[M+NH4]+ 369.09312 185.7
[M+K]+ 390.02246 184.1
[M-H]- 350.05202 179.9
[M+Na-2H]- 372.03397 183.4
[M]+ 351.05875 180.7
[M]- 351.05985 180.7
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

No patent data available for this compound.