CID 126970857

3-bromo-5-(difluoromethyl)-4-methylpyridine

Structural Information

Molecular Formula

C₇H₆BrF₂N

SMILES

CC1=C(C=NC=C1C(F)F)Br

InChI

InChI=1S/C7H6BrF2N/c1-4-5(7(9)10)2-11-3-6(4)8/h2-3,7H,1H3

InChIKey

RVUOPUSAYVGPIX-UHFFFAOYSA-N

Compound name

3-bromo-5-(difluoromethyl)-4-methylpyridine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 14
Patents: 220.96516 Da
Monoisotopic Mass: 2.5
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]+	221.97244	141.9
[M+Na]+	243.95438	144.9
[M+NH4]+	238.99898	145.9
[M+K]+	259.92832	144.5
[M-H]-	219.95788	140.0
[M+Na-2H]-	241.93983	144.6
[M]+	220.96461	140.5
[M]-	220.96571	140.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe