CID 2759752

144899-95-6

Structural Information

Molecular Formula

C₁₀H₈FNO₂S

SMILES

COC(=O)C1=C(C2=C(C=CC=C2S1)F)N

InChI

InChI=1S/C10H8FNO2S/c1-14-10(13)9-8(12)7-5(11)3-2-4-6(7)15-9/h2-4H,12H2,1H3

InChIKey

WOWVQQVKSSAEDP-UHFFFAOYSA-N

Compound name

methyl 3-amino-4-fluoro-1-benzothiophene-2-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
Patents: 225.02597 Da
Monoisotopic Mass: 3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	226.03325	144.9
[M+Na]+	248.01519	156.1
[M+NH4]+	243.05979	153.2
[M+K]+	263.98913	150.3
[M-H]-	224.01869	146.0
[M+Na-2H]-	246.00064	149.4
[M]+	225.02542	147.1
[M]-	225.02652	147.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe