CID 271522

Nsc115111

Structural Information

Molecular Formula

C₁₄H₁₂BrNO

SMILES

CC1=CC=CC=C1N=CC2=C(C=CC(=C2)Br)O

InChI

InChI=1S/C14H12BrNO/c1-10-4-2-3-5-13(10)16-9-11-8-12(15)6-7-14(11)17/h2-9,17H,1H3

InChIKey

VAEGUSSKFYGAKA-UHFFFAOYSA-N

Compound name

4-bromo-2-[(2-methylphenyl)iminomethyl]phenol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 289.01022 Da
Monoisotopic Mass: 3.9
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]+	290.01750	156.3
[M+Na]+	311.99944	167.8
[M-H]-	288.00294	165.8
[M+NH4]+	307.04404	175.6
[M+K]+	327.97338	155.3
[M+H-H2O]+	272.00748	155.0
[M+HCOO]-	334.00842	179.3
[M+CH3COO]-	348.02407	200.1
[M+Na-2H]-	309.98489	163.3
[M]+	289.00967	175.0
[M]-	289.01077	175.0

Literature stripe

literature stripe

Patent stripe

patents stripe