CID 118817652

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

Structural Information

Molecular Formula

C₇H₆BrF₂NO

SMILES

CC1=CN=C(C=C1Br)OC(F)F

InChI

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

InChIKey

JHGZCRQUNZKJRB-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
Patents: 236.96008 Da
Monoisotopic Mass: 3.2
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]+	237.967356	138.9
[M+Na]+	259.949298	151.8
[M-H]-	235.952804	141.9
[M+NH4]+	254.993903	159.3
[M+K]+	275.923238	141.2
[M+H-H2O]+	219.957340	137.1
[M+HCOO]-	281.958281	157.6
[M+CH3COO]-	295.973931	188.7
[M+Na-2H]-	257.934746	145.3
[M]+	236.95953142	156.4
[M]-	236.96062858	156.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe