CID 2777273

461-81-4

Structural Information

Molecular Formula

C₇H₄ClF₃O

SMILES

C1=CC(=CC=C1OC(F)(F)F)Cl

InChI

InChI=1S/C7H4ClF3O/c8-5-1-3-6(4-2-5)12-7(9,10)11/h1-4H

InChIKey

SELFZOLQRDPBKC-UHFFFAOYSA-N

Compound name

1-chloro-4-(trifluoromethoxy)benzene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 602
Patents: 195.99028 Da
Monoisotopic Mass: 4.0
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]+	196.99756	130.4
[M+Na]+	218.97950	141.0
[M-H]-	194.98300	130.6
[M+NH4]+	214.02410	150.9
[M+K]+	234.95344	137.2
[M+H-H2O]+	178.98754	123.7
[M+HCOO]-	240.98848	146.6
[M+CH3COO]-	255.00413	180.3
[M+Na-2H]-	216.96495	137.5
[M]+	195.98973	129.3
[M]-	195.99083	129.3

Literature stripe

literature stripe

Patent stripe

patents stripe