CID 2773710

2-chloro-6-fluorophenol

Structural Information

Molecular Formula

SMILES

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

InChI

InChI=1S/C6H4ClFO/c7-4-2-1-3-5(8)6(4)9/h1-3,9H

InChIKey

QIAQIYQASAWZPP-UHFFFAOYSA-N

Compound name

2-chloro-6-fluorophenol

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 3
References: 481
Patents: 145.99347 Da
Monoisotopic Mass: 2.2
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]+	147.00075	120.3
[M+Na]+	168.98269	131.3
[M-H]-	144.98619	122.2
[M+NH4]+	164.02729	142.5
[M+K]+	184.95663	127.4
[M+H-H2O]+	128.99073	116.0
[M+HCOO]-	190.99167	139.1
[M+CH3COO]-	205.00732	170.5
[M+Na-2H]-	166.96814	127.5
[M]+	145.99292	120.3
[M]-	145.99402	120.3

Literature stripe

literature stripe

Patent stripe

patents stripe