CID 84080050

Methyl 7-fluoroindoline-2-carboxylate hydrochloride

Structural Information

Molecular Formula

C₁₀H₁₀FNO₂

SMILES

COC(=O)C1CC2=C(N1)C(=CC=C2)F

InChI

InChI=1S/C10H10FNO2/c1-14-10(13)8-5-6-3-2-4-7(11)9(6)12-8/h2-4,8,12H,5H2,1H3

InChIKey

BLORPERNCKEAEH-UHFFFAOYSA-N

Compound name

methyl 7-fluoro-2,3-dihydro-1H-indole-2-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 195.06955 Da
Monoisotopic Mass: 2.0
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]+	196.076826	139.3
[M+Na]+	218.058768	148.1
[M-H]-	194.062274	140.1
[M+NH4]+	213.103373	159.8
[M+K]+	234.032708	145.0
[M+H-H2O]+	178.066810	132.7
[M+HCOO]-	240.067751	158.5
[M+CH3COO]-	254.083401	180.4
[M+Na-2H]-	216.044216	143.0
[M]+	195.06900142	137.5
[M]-	195.07009858	137.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe