CID 63840317

1335055-73-6

Structural Information

Molecular Formula

C₁₀H₁₁BrClNO₂

SMILES

CC(C)(C)OC(=O)C1=C(N=CC(=C1)Br)Cl

InChI

InChI=1S/C10H11BrClNO2/c1-10(2,3)15-9(14)7-4-6(11)5-13-8(7)12/h4-5H,1-3H3

InChIKey

AKAWCXVBQHDOHY-UHFFFAOYSA-N

Compound name

tert-butyl 5-bromo-2-chloropyridine-3-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 290.96616 Da
Monoisotopic Mass: 3.3
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]+	291.97344	151.4
[M+Na]+	313.95538	164.8
[M-H]-	289.95888	157.1
[M+NH4]+	308.99998	171.1
[M+K]+	329.92932	152.8
[M+H-H2O]+	273.96342	152.2
[M+HCOO]-	335.96436	165.8
[M+CH3COO]-	349.98001	195.7
[M+Na-2H]-	311.94083	158.1
[M]+	290.96561	174.2
[M]-	290.96671	174.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe