CID 121227904

3-bromo-5-difluoromethoxy-2-methylpyridine

Structural Information

Molecular Formula

C₇H₆BrF₂NO

SMILES

CC1=C(C=C(C=N1)OC(F)F)Br

InChI

InChI=1S/C7H6BrF2NO/c1-4-6(8)2-5(3-11-4)12-7(9)10/h2-3,7H,1H3

InChIKey

LFCYOFPMFBJIMY-UHFFFAOYSA-N

Compound name

3-bromo-5-(difluoromethoxy)-2-methylpyridine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 12
Patents: 236.96008 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]+	237.96736	145.2
[M+Na]+	259.94930	147.8
[M+NH4]+	254.99390	148.7
[M+K]+	275.92324	147.8
[M-H]-	235.95280	142.8
[M+Na-2H]-	257.93475	147.5
[M]+	236.95953	143.6
[M]-	236.96063	143.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe