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 159.6
[M+Na]+ 298.06722 167.5
[M-H]- 274.07072 165.6
[M+NH4]+ 293.11182 178.8
[M+K]+ 314.04116 162.1
[M+H-H2O]+ 258.07526 152.7
[M+HCOO]- 320.07620 175.2
[M+CH3COO]- 334.09185 171.2
[M+Na-2H]- 296.05267 158.9
[M]+ 275.07745 157.1
[M]- 275.07855 157.1
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.