CID 107477862

1688714-10-4

Structural Information

Molecular Formula

C₈H₇ClF₂O

SMILES

C[C@@H](C1=CC(=C(C=C1Cl)F)F)O

InChI

InChI=1S/C8H7ClF2O/c1-4(12)5-2-7(10)8(11)3-6(5)9/h2-4,12H,1H3/t4-/m0/s1

InChIKey

SFAOCTOJGNBPEU-BYPYZUCNSA-N

Compound name

(1S)-1-(2-chloro-4,5-difluorophenyl)ethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 192.01535 Da
Monoisotopic Mass: 2.3
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]+	193.022626	131.3
[M+Na]+	215.004568	142.2
[M-H]-	191.008074	131.9
[M+NH4]+	210.049173	151.8
[M+K]+	230.978508	137.8
[M+H-H2O]+	175.012610	126.0
[M+HCOO]-	237.013551	147.4
[M+CH3COO]-	251.029201	181.3
[M+Na-2H]-	212.990016	134.9
[M]+	192.01480142	130.7
[M]-	192.01589858	130.7

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.