CID 75849

2648-00-2

Structural Information

Molecular Formula

C₁₅H₁₁FN₂O

SMILES

C1C(=O)NC2=C(C=C(C=C2)F)C(=N1)C3=CC=CC=C3

InChI

InChI=1S/C15H11FN2O/c16-11-6-7-13-12(8-11)15(17-9-14(19)18-13)10-4-2-1-3-5-10/h1-8H,9H2,(H,18,19)

InChIKey

BHRKXOYRRFPATI-UHFFFAOYSA-N

Compound name

7-fluoro-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 15
References: 5
Patents: 254.08554 Da
Monoisotopic Mass: 2.3
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]+	255.092816	153.9
[M+Na]+	277.074758	162.1
[M-H]-	253.078264	157.7
[M+NH4]+	272.119363	167.7
[M+K]+	293.048698	160.4
[M+H-H2O]+	237.082800	145.2
[M+HCOO]-	299.083741	171.1
[M+CH3COO]-	313.099391	164.8
[M+Na-2H]-	275.060206	160.0
[M]+	254.08499142	147.9
[M]-	254.08608858	147.9

Literature stripe

literature stripe

Patent stripe

patents stripe