CID 3062397

3-((dimethylamino)methyl)-6-fluorobenzo(c)thiophen-1(3h)-one hydrochloride

Structural Information

Molecular Formula
C11H12FNOS
SMILES
CN(C)CC1C2=C(C=C(C=C2)F)C(=O)S1
InChI
InChI=1S/C11H12FNOS/c1-13(2)6-10-8-4-3-7(12)5-9(8)11(14)15-10/h3-5,10H,6H2,1-2H3
InChIKey
LRRFNKZECMMPKD-UHFFFAOYSA-N
Compound name
3-[(dimethylamino)methyl]-6-fluoro-3H-2-benzothiophen-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

225.06236 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.06964 145.8
[M+Na]+ 248.05158 155.3
[M-H]- 224.05508 151.0
[M+NH4]+ 243.09618 168.4
[M+K]+ 264.02552 152.5
[M+H-H2O]+ 208.05962 139.6
[M+HCOO]- 270.06056 164.5
[M+CH3COO]- 284.07621 194.4
[M+Na-2H]- 246.03703 146.9
[M]+ 225.06181 148.4
[M]- 225.06291 148.4
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.