CID 22294737

30124-09-5

Structural Information

Molecular Formula

C₁₄H₁₃Cl₂NO

SMILES

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

InChI

InChI=1S/C14H13Cl2NO/c15-11-5-3-6-12(16)14(11)17-13-7-2-1-4-10(13)8-9-18/h1-7,17-18H,8-9H2

InChIKey

NFWJEEBVQAMWHK-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 3
Patents: 281.0374 Da
Monoisotopic Mass: 4.5
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]+	282.044676	159.9
[M+Na]+	304.026618	169.2
[M-H]-	280.030124	164.8
[M+NH4]+	299.071223	176.6
[M+K]+	320.000558	161.8
[M+H-H2O]+	264.034660	154.5
[M+HCOO]-	326.035601	174.3
[M+CH3COO]-	340.051251	198.0
[M+Na-2H]-	302.012066	164.4
[M]+	281.03685142	162.6
[M]-	281.03794858	162.6

Literature stripe

literature stripe

Patent stripe

patents stripe