CID 67997908

7-bromo-2h-[1,3]dioxolo[4,5-g]quinoline

Structural Information

Molecular Formula

C₁₀H₆BrNO₂

SMILES

C1OC2=CC3=CC(=CN=C3C=C2O1)Br

InChI

InChI=1S/C10H6BrNO2/c11-7-1-6-2-9-10(14-5-13-9)3-8(6)12-4-7/h1-4H,5H2

InChIKey

KVVLBMGKXQWWAP-UHFFFAOYSA-N

Compound name

7-bromo-[1,3]dioxolo[4,5-g]quinoline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 250.95819 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]+	251.965466	146.0
[M+Na]+	273.947408	159.5
[M-H]-	249.950914	154.4
[M+NH4]+	268.992013	167.0
[M+K]+	289.921348	151.3
[M+H-H2O]+	233.955450	146.7
[M+HCOO]-	295.956391	164.3
[M+CH3COO]-	309.972041	161.8
[M+Na-2H]-	271.932856	156.4
[M]+	250.95764142	167.0
[M]-	250.95873858	167.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe