CID 19436620

4-chloro-3,5-difluorophenol

Structural Information

Molecular Formula

C₆H₃ClF₂O

SMILES

C1=C(C=C(C(=C1F)Cl)F)O

InChI

InChI=1S/C6H3ClF2O/c7-6-4(8)1-3(10)2-5(6)9/h1-2,10H

InChIKey

OEBQPSQPCDHCKT-UHFFFAOYSA-N

Compound name

4-chloro-3,5-difluorophenol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 45
Patents: 163.98405 Da
Monoisotopic Mass: 2.4
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]+	164.99133	125.5
[M+Na]+	186.97327	138.6
[M+NH4]+	182.01787	133.7
[M+K]+	202.94721	132.2
[M-H]-	162.97677	125.0
[M+Na-2H]-	184.95872	131.9
[M]+	163.98350	127.4
[M]-	163.98460	127.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe