CID 45790939

4-bromo-2-(trifluoromethoxy)anisole

Structural Information

Molecular Formula

C₈H₆BrF₃O₂

SMILES

COC1=C(C=C(C=C1)Br)OC(F)(F)F

InChI

InChI=1S/C8H6BrF3O2/c1-13-6-3-2-5(9)4-7(6)14-8(10,11)12/h2-4H,1H3

InChIKey

QVGIROOBNUFIKC-UHFFFAOYSA-N

Compound name

4-bromo-1-methoxy-2-(trifluoromethoxy)benzene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 42
Patents: 269.95032 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]+	270.95760	157.8
[M+Na]+	292.93954	159.3
[M+NH4]+	287.98414	160.4
[M+K]+	308.91348	159.2
[M-H]-	268.94304	154.1
[M+Na-2H]-	290.92499	158.9
[M]+	269.94977	155.7
[M]-	269.95087	155.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe