CID 69984007

374772-79-9

Structural Information

Molecular Formula

C₁₉H₂₂Cl₂O₄

SMILES

C1=CC(=CC=C1CC2=CC=C(C=C2)OCC(CO)Cl)OCC(CO)Cl

InChI

InChI=1S/C19H22Cl2O4/c20-16(10-22)12-24-18-5-1-14(2-6-18)9-15-3-7-19(8-4-15)25-13-17(21)11-23/h1-8,16-17,22-23H,9-13H2

InChIKey

VAFXFEBPCUMOIF-UHFFFAOYSA-N

Compound name

2-chloro-3-[4-[[4-(2-chloro-3-hydroxypropoxy)phenyl]methyl]phenoxy]propan-1-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
Patents: 384.0895 Da
Monoisotopic Mass: 3.7
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]+	385.096776	184.3
[M+Na]+	407.078718	190.1
[M-H]-	383.082224	187.1
[M+NH4]+	402.123323	195.9
[M+K]+	423.052658	183.8
[M+H-H2O]+	367.086760	178.1
[M+HCOO]-	429.087701	193.5
[M+CH3COO]-	443.103351	211.8
[M+Na-2H]-	405.064166	184.3
[M]+	384.08895142	190.5
[M]-	384.09004858	190.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe