CID 118395292

Tert-butyl n-(4,6-dichloro-5-formylpyridin-2-yl)carbamate

Structural Information

Molecular Formula
C11H12Cl2N2O3
SMILES
CC(C)(C)OC(=O)NC1=NC(=C(C(=C1)Cl)C=O)Cl
InChI
InChI=1S/C11H12Cl2N2O3/c1-11(2,3)18-10(17)15-8-4-7(12)6(5-16)9(13)14-8/h4-5H,1-3H3,(H,14,15,17)
InChIKey
SOBWFBJBIOGZIZ-UHFFFAOYSA-N
Compound name
tert-butyl N-(4,6-dichloro-5-formylpyridin-2-yl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

290.0225 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.02978 159.7
[M+Na]+ 313.01172 170.0
[M-H]- 289.01522 162.3
[M+NH4]+ 308.05632 175.8
[M+K]+ 328.98566 165.6
[M+H-H2O]+ 273.01976 154.9
[M+HCOO]- 335.02070 172.2
[M+CH3COO]- 349.03635 200.2
[M+Na-2H]- 310.99717 163.6
[M]+ 290.02195 165.8
[M]- 290.02305 165.8
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