CID 44890727

348-84-5

Structural Information

Molecular Formula

C₉H₈ClF₃O

SMILES

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

InChI

InChI=1S/C9H8ClF3O/c1-5(14)6-2-3-8(10)7(4-6)9(11,12)13/h2-5,14H,1H3

InChIKey

RMFUMJOARZCIFY-UHFFFAOYSA-N

Compound name

1-[4-chloro-3-(trifluoromethyl)phenyl]ethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 13
Patents: 224.02158 Da
Monoisotopic Mass: 2.9
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]+	225.02886	139.2
[M+Na]+	247.01080	149.3
[M-H]-	223.01430	138.2
[M+NH4]+	242.05540	158.2
[M+K]+	262.98474	144.6
[M+H-H2O]+	207.01884	132.9
[M+HCOO]-	269.01978	152.3
[M+CH3COO]-	283.03543	185.6
[M+Na-2H]-	244.99625	143.0
[M]+	224.02103	136.8
[M]-	224.02213	136.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe