CID 12947024

Flubromazepam

Structural Information

Molecular Formula

C₁₅H₁₀BrFN₂O

SMILES

C1C(=O)NC2=C(C=C(C=C2)Br)C(=N1)C3=CC=CC=C3F

InChI

InChI=1S/C15H10BrFN2O/c16-9-5-6-13-11(7-9)15(18-8-14(20)19-13)10-3-1-2-4-12(10)17/h1-7H,8H2,(H,19,20)

InChIKey

ZRKDDZBVSZLOFS-UHFFFAOYSA-N

Compound name

7-bromo-5-(2-fluorophenyl)-1,3-dihydro-1,4-benzodiazepin-2-one

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 2
References: 190
Patents: 331.99606 Da
Monoisotopic Mass: 3.0
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]+	333.00334	163.3
[M+Na]+	354.98528	174.6
[M-H]-	330.98878	169.7
[M+NH4]+	350.02988	178.1
[M+K]+	370.95922	165.8
[M+H-H2O]+	314.99332	161.4
[M+HCOO]-	376.99426	178.5
[M+CH3COO]-	391.00991	175.5
[M+Na-2H]-	352.97073	169.5
[M]+	331.99551	175.7
[M]-	331.99661	175.7

Literature stripe

literature stripe

Patent stripe

patents stripe