CID 2775276

4910-40-1

Structural Information

Molecular Formula

C₈H₅BrF₄O

SMILES

COC1=C(C(=C(C(=C1F)F)CBr)F)F

InChI

InChI=1S/C8H5BrF4O/c1-14-8-6(12)4(10)3(2-9)5(11)7(8)13/h2H2,1H3

InChIKey

SNPXIYPEWUELMV-UHFFFAOYSA-N

Compound name

1-(bromomethyl)-2,3,5,6-tetrafluoro-4-methoxybenzene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 53
Patents: 271.94598 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]+	272.95326	163.2
[M+Na]+	294.93520	165.2
[M+NH4]+	289.97980	165.4
[M+K]+	310.90914	163.8
[M-H]-	270.93870	159.2
[M+Na-2H]-	292.92065	163.0
[M]+	271.94543	161.1
[M]-	271.94653	161.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe