CID 45076485

Tert-butyl n-(2,6-dichloropyridin-4-yl)carbamate

Structural Information

Molecular Formula
C10H12Cl2N2O2
SMILES
CC(C)(C)OC(=O)NC1=CC(=NC(=C1)Cl)Cl
InChI
InChI=1S/C10H12Cl2N2O2/c1-10(2,3)16-9(15)13-6-4-7(11)14-8(12)5-6/h4-5H,1-3H3,(H,13,14,15)
InChIKey
DEEVITBIJFESEP-UHFFFAOYSA-N
Compound name
tert-butyl N-(2,6-dichloropyridin-4-yl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

50
Patents

262.0276 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.03488 154.2
[M+Na]+ 285.01682 163.8
[M-H]- 261.02032 156.5
[M+NH4]+ 280.06142 171.3
[M+K]+ 300.99076 159.5
[M+H-H2O]+ 245.02486 149.4
[M+HCOO]- 307.02580 166.6
[M+CH3COO]- 321.04145 194.8
[M+Na-2H]- 283.00227 159.1
[M]+ 262.02705 158.8
[M]- 262.02815 158.8
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

patents stripe