CID 58221883

1202765-56-7

Structural Information

Molecular Formula

C₁₂H₁₄BrNO

SMILES

C1COCCC12CNC3=C2C=CC(=C3)Br

InChI

InChI=1S/C12H14BrNO/c13-9-1-2-10-11(7-9)14-8-12(10)3-5-15-6-4-12/h1-2,7,14H,3-6,8H2

InChIKey

HJBDQOZMIJOABX-UHFFFAOYSA-N

Compound name

6-bromospiro[1,2-dihydroindole-3,4'-oxane]

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 23
Patents: 267.02588 Da
Monoisotopic Mass: 2.8
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]+	268.03316	155.9
[M+Na]+	290.01510	166.0
[M-H]-	266.01860	162.5
[M+NH4]+	285.05970	177.7
[M+K]+	305.98904	155.3
[M+H-H2O]+	250.02314	156.2
[M+HCOO]-	312.02408	170.3
[M+CH3COO]-	326.03973	169.2
[M+Na-2H]-	288.00055	162.8
[M]+	267.02533	169.5
[M]-	267.02643	169.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe