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: 24
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]+	268.033156	155.9
[M+Na]+	290.015098	166.0
[M-H]-	266.018604	162.5
[M+NH4]+	285.059703	177.7
[M+K]+	305.989038	155.3
[M+H-H2O]+	250.023140	156.2
[M+HCOO]-	312.024081	170.3
[M+CH3COO]-	326.039731	169.2
[M+Na-2H]-	288.000546	162.8
[M]+	267.02533142	169.5
[M]-	267.02642858	169.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe