CID 2554433

399043-35-7

Structural Information

Molecular Formula
C15H14FNOS
SMILES
C1CCC2=C(C1)C(=C(S2)N)C(=O)C3=CC(=CC=C3)F
InChI
InChI=1S/C15H14FNOS/c16-10-5-3-4-9(8-10)14(18)13-11-6-1-2-7-12(11)19-15(13)17/h3-5,8H,1-2,6-7,17H2
InChIKey
AVINEQRMMABGCF-UHFFFAOYSA-N
Compound name
(2-amino-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)-(3-fluorophenyl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

275.078 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.08528 159.9
[M+Na]+ 298.06722 170.8
[M+NH4]+ 293.11182 169.0
[M+K]+ 314.04116 163.6
[M-H]- 274.07072 163.5
[M+Na-2H]- 296.05267 165.4
[M]+ 275.07745 162.8
[M]- 275.07855 162.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.