CID 138990930

2309461-88-7

Structural Information

Molecular Formula
C11H14BrClN2O2
SMILES
CC(C)(C)OC(=O)NCC1=C(C=CC(=N1)Cl)Br
InChI
InChI=1S/C11H14BrClN2O2/c1-11(2,3)17-10(16)14-6-8-7(12)4-5-9(13)15-8/h4-5H,6H2,1-3H3,(H,14,16)
InChIKey
NQMBMRVGQRYSKJ-UHFFFAOYSA-N
Compound name
tert-butyl N-[(3-bromo-6-chloropyridin-2-yl)methyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

319.9927 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 320.99998 161.1
[M+Na]+ 342.98192 173.1
[M-H]- 318.98542 166.3
[M+NH4]+ 338.02652 179.2
[M+K]+ 358.95586 160.4
[M+H-H2O]+ 302.98996 160.7
[M+HCOO]- 364.99090 176.0
[M+CH3COO]- 379.00655 202.4
[M+Na-2H]- 340.96737 167.3
[M]+ 319.99215 183.2
[M]- 319.99325 183.2
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.