CID 3451514

98591-11-8

Structural Information

Molecular Formula

C₁₄H₁₄ClNO₂

SMILES

COC1=CC=C(C=C1)NCC2=C(C=CC(=C2)Cl)O

InChI

InChI=1S/C14H14ClNO2/c1-18-13-5-3-12(4-6-13)16-9-10-8-11(15)2-7-14(10)17/h2-8,16-17H,9H2,1H3

InChIKey

FLNUSSGYUQISIQ-UHFFFAOYSA-N

Compound name

4-chloro-2-[(4-methoxyanilino)methyl]phenol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 263.07132 Da
Monoisotopic Mass: 3.2
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]+	264.078596	156.8
[M+Na]+	286.060538	165.6
[M-H]-	262.064044	162.5
[M+NH4]+	281.105143	173.7
[M+K]+	302.034478	160.1
[M+H-H2O]+	246.068580	150.4
[M+HCOO]-	308.069521	176.6
[M+CH3COO]-	322.085171	195.6
[M+Na-2H]-	284.045986	162.1
[M]+	263.07077142	159.6
[M]-	263.07186858	159.6

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.