CID 45933665

1159512-40-9

Structural Information

Molecular Formula

C₆H₃ClF₂O

SMILES

C1=CC(=C(C(=C1O)Cl)F)F

InChI

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

InChIKey

KVRNOHNVBCQESA-UHFFFAOYSA-N

Compound name

2-chloro-3,4-difluorophenol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 16
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	122.0
[M+Na]+	186.97327	133.9
[M-H]-	162.97677	122.8
[M+NH4]+	182.01787	143.6
[M+K]+	202.94721	129.6
[M+H-H2O]+	146.98131	116.9
[M+HCOO]-	208.98225	139.7
[M+CH3COO]-	222.99790	174.4
[M+Na-2H]-	184.95872	127.9
[M]+	163.98350	121.2
[M]-	163.98460	121.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe