CID 15646808

27204-57-5

Structural Information

Molecular Formula

C₁₃H₁₁Cl₂NO

SMILES

C1=CC=C(C(=C1)CO)NC2=C(C=CC=C2Cl)Cl

InChI

InChI=1S/C13H11Cl2NO/c14-10-5-3-6-11(15)13(10)16-12-7-2-1-4-9(12)8-17/h1-7,16-17H,8H2

InChIKey

HFLGAAAKRFLWLN-UHFFFAOYSA-N

Compound name

[2-(2,6-dichloroanilino)phenyl]methanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 10
Patents: 267.02176 Da
Monoisotopic Mass: 4.6
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]+	268.02904	155.3
[M+Na]+	290.01098	165.1
[M-H]-	266.01448	160.4
[M+NH4]+	285.05558	172.5
[M+K]+	305.98492	157.9
[M+H-H2O]+	250.01902	150.1
[M+HCOO]-	312.01996	170.1
[M+CH3COO]-	326.03561	195.1
[M+Na-2H]-	287.99643	160.4
[M]+	267.02121	157.6
[M]-	267.02231	157.6

Literature stripe

literature stripe

Patent stripe

patents stripe