CID 117110571

Methyl 7-bromoindoline-5-carboxylate

Structural Information

Molecular Formula

C₁₀H₁₀BrNO₂

SMILES

COC(=O)C1=CC2=C(C(=C1)Br)NCC2

InChI

InChI=1S/C10H10BrNO2/c1-14-10(13)7-4-6-2-3-12-9(6)8(11)5-7/h4-5,12H,2-3H2,1H3

InChIKey

GUWZMODLGKNYOC-UHFFFAOYSA-N

Compound name

methyl 7-bromo-2,3-dihydro-1H-indole-5-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
Patents: 254.98949 Da
Monoisotopic Mass: 2.5
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]+	255.996766	150.0
[M+Na]+	277.978708	161.7
[M-H]-	253.982214	154.8
[M+NH4]+	273.023313	171.7
[M+K]+	293.952648	150.6
[M+H-H2O]+	237.986750	150.3
[M+HCOO]-	299.987691	168.0
[M+CH3COO]-	314.003341	187.9
[M+Na-2H]-	275.964156	155.1
[M]+	254.98894142	167.9
[M]-	254.99003858	167.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe