CID 76849197

Tert-butyl n-(5-bromo-3-chloropyridin-2-yl)carbamate

Structural Information

Molecular Formula
C10H12BrClN2O2
SMILES
CC(C)(C)OC(=O)NC1=C(C=C(C=N1)Br)Cl
InChI
InChI=1S/C10H12BrClN2O2/c1-10(2,3)16-9(15)14-8-7(12)4-6(11)5-13-8/h4-5H,1-3H3,(H,13,14,15)
InChIKey
NXIQCITXMFEAOZ-UHFFFAOYSA-N
Compound name
tert-butyl N-(5-bromo-3-chloropyridin-2-yl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

305.97708 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.98436 156.5
[M+Na]+ 328.96630 168.8
[M-H]- 304.96980 161.9
[M+NH4]+ 324.01090 175.1
[M+K]+ 344.94024 156.4
[M+H-H2O]+ 288.97434 156.3
[M+HCOO]- 350.97528 171.7
[M+CH3COO]- 364.99093 199.6
[M+Na-2H]- 326.95175 163.2
[M]+ 305.97653 178.3
[M]- 305.97763 178.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.