CID 129917223

3-chloro-5-(difluoromethyl)phenol

Structural Information

Molecular Formula

C₇H₅ClF₂O

SMILES

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

InChI

InChI=1S/C7H5ClF2O/c8-5-1-4(7(9)10)2-6(11)3-5/h1-3,7,11H

InChIKey

IQUYWTWUOCNOEA-UHFFFAOYSA-N

Compound name

3-chloro-5-(difluoromethyl)phenol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 14
Patents: 177.9997 Da
Monoisotopic Mass: 2.8
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]+	179.00698	130.3
[M+Na]+	200.98892	142.4
[M+NH4]+	196.03352	138.1
[M+K]+	216.96286	136.4
[M-H]-	176.99242	129.4
[M+Na-2H]-	198.97437	136.2
[M]+	177.99915	131.9
[M]-	178.00025	131.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe