CID 2757459

252004-35-6

Structural Information

Molecular Formula

C₇H₅ClF₂O

SMILES

C1=CC(=C(C(=C1F)CO)F)Cl

InChI

InChI=1S/C7H5ClF2O/c8-5-1-2-6(9)4(3-11)7(5)10/h1-2,11H,3H2

InChIKey

KLHRZAAZABAKME-UHFFFAOYSA-N

Compound name

(3-chloro-2,6-difluorophenyl)methanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 124
Patents: 177.9997 Da
Monoisotopic Mass: 1.9
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	130.1
[M+Na]+	200.98892	142.9
[M+NH4]+	196.03352	138.0
[M+K]+	216.96286	136.3
[M-H]-	176.99242	129.5
[M+Na-2H]-	198.97437	136.1
[M]+	177.99915	131.9
[M]-	178.00025	131.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe