CID 73553490

1224604-21-0

Structural Information

Molecular Formula

C₈H₅BrF₄O

SMILES

COC1=C(C=C(C=C1F)Br)C(F)(F)F

InChI

InChI=1S/C8H5BrF4O/c1-14-7-5(8(11,12)13)2-4(9)3-6(7)10/h2-3H,1H3

InChIKey

JYIJZSRKYHZZBO-UHFFFAOYSA-N

Compound name

5-bromo-1-fluoro-2-methoxy-3-(trifluoromethyl)benzene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 30
Patents: 271.94598 Da
Monoisotopic Mass: 3.6
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	163.1
[M+Na]+	294.93520	164.4
[M+NH4]+	289.97980	165.2
[M+K]+	310.90914	163.7
[M-H]-	270.93870	158.6
[M+Na-2H]-	292.92065	163.2
[M]+	271.94543	160.8
[M]-	271.94653	160.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe