CID 3815818

4-(bromomethyl)-n-phenylbenzamide

Structural Information

Molecular Formula

C₁₄H₁₂BrNO

SMILES

C1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)CBr

InChI

InChI=1S/C14H12BrNO/c15-10-11-6-8-12(9-7-11)14(17)16-13-4-2-1-3-5-13/h1-9H,10H2,(H,16,17)

InChIKey

BXQOVYZEWIPIKA-UHFFFAOYSA-N

Compound name

4-(bromomethyl)-N-phenylbenzamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 289.01022 Da
Monoisotopic Mass: 3.5
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]+	290.017496	157.5
[M+Na]+	311.999438	167.0
[M-H]-	288.002944	166.3
[M+NH4]+	307.044043	176.1
[M+K]+	327.973378	154.9
[M+H-H2O]+	272.007480	156.1
[M+HCOO]-	334.008421	179.6
[M+CH3COO]-	348.024071	198.7
[M+Na-2H]-	309.984886	164.7
[M]+	289.00967142	174.9
[M]-	289.01076858	174.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe