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	155.6
[M+Na]+	311.99944	161.2
[M+NH4]+	307.04404	161.1
[M+K]+	327.97338	159.1
[M-H]-	288.00294	159.3
[M+Na-2H]-	309.98489	161.9
[M]+	289.00967	156.4
[M]-	289.01077	156.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe