CID 115097119

2247102-81-2

Structural Information

Molecular Formula

C₁₀H₁₀BrNO

SMILES

C1CC12CNC3=C(O2)C=C(C=C3)Br

InChI

InChI=1S/C10H10BrNO/c11-7-1-2-8-9(5-7)13-10(3-4-10)6-12-8/h1-2,5,12H,3-4,6H2

InChIKey

IJXYSJNLEFSFRD-UHFFFAOYSA-N

Compound name

7-bromospiro[3,4-dihydro-1,4-benzoxazine-2,1'-cyclopropane]

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 238.99458 Da
Monoisotopic Mass: 2.7
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]+	240.00186	148.5
[M+Na]+	261.98380	161.8
[M-H]-	237.98730	156.4
[M+NH4]+	257.02840	165.3
[M+K]+	277.95774	151.7
[M+H-H2O]+	221.99184	148.4
[M+HCOO]-	283.99278	164.2
[M+CH3COO]-	298.00843	162.5
[M+Na-2H]-	259.96925	158.8
[M]+	238.99403	166.1
[M]-	238.99513	166.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe