CID 292413

Alpha-(3-nitrophenylimino)-ortho-cresol

Structural Information

Molecular Formula

C₁₃H₁₀N₂O₃

SMILES

C1=CC=C(C(=C1)C=NC2=CC(=CC=C2)[N+](=O)[O-])O

InChI

InChI=1S/C13H10N2O3/c16-13-7-2-1-4-10(13)9-14-11-5-3-6-12(8-11)15(17)18/h1-9,16H

InChIKey

LEPWMCBGSMIEGT-UHFFFAOYSA-N

Compound name

2-[(3-nitrophenyl)iminomethyl]phenol

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 2
Patents: 242.06914 Da
Monoisotopic Mass: 2.9
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]+	243.076416	150.7
[M+Na]+	265.058358	157.3
[M-H]-	241.061864	157.7
[M+NH4]+	260.102963	166.7
[M+K]+	281.032298	149.9
[M+H-H2O]+	225.066400	147.5
[M+HCOO]-	287.067341	177.8
[M+CH3COO]-	301.082991	187.9
[M+Na-2H]-	263.043806	159.2
[M]+	242.06859142	148.9
[M]-	242.06968858	148.9

Literature stripe

literature stripe

Patent stripe

patents stripe