CID 10544447

Bromo-dragonfly

Structural Information

Molecular Formula

C₁₃H₁₂BrNO₂

SMILES

C[C@H](CC1=C2C=COC2=C(C3=C1OC=C3)Br)N

InChI

InChI=1S/C13H12BrNO2/c1-7(15)6-10-8-2-4-17-13(8)11(14)9-3-5-16-12(9)10/h2-5,7H,6,15H2,1H3/t7-/m1/s1

InChIKey

GIKPTWKWYXCBEC-SSDOTTSWSA-N

Compound name

(2R)-1-(4-bromofuro[2,3-f][1]benzofuran-8-yl)propan-2-amine

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 2
References: 103
Patents: 293.00513 Da
Monoisotopic Mass: 3.2
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]+	294.012406	163.9
[M+Na]+	315.994348	178.4
[M-H]-	291.997854	174.0
[M+NH4]+	311.038953	186.0
[M+K]+	331.968288	169.1
[M+H-H2O]+	276.002390	165.0
[M+HCOO]-	338.003331	186.3
[M+CH3COO]-	352.018981	179.8
[M+Na-2H]-	313.979796	170.3
[M]+	293.00458142	188.0
[M]-	293.00567858	188.0

Literature stripe

literature stripe

Patent stripe

patents stripe