CID 72206934

Tert-butyl n-(2-chloro-5-iodopyridin-4-yl)carbamate

Structural Information

Molecular Formula
C10H12ClIN2O2
SMILES
CC(C)(C)OC(=O)NC1=CC(=NC=C1I)Cl
InChI
InChI=1S/C10H12ClIN2O2/c1-10(2,3)16-9(15)14-7-4-8(11)13-5-6(7)12/h4-5H,1-3H3,(H,13,14,15)
InChIKey
LBNPXTPXVZABRU-UHFFFAOYSA-N
Compound name
tert-butyl N-(2-chloro-5-iodopyridin-4-yl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

22
Patents

353.9632 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 354.97048 162.8
[M+Na]+ 376.95242 164.6
[M-H]- 352.95592 158.7
[M+NH4]+ 371.99702 175.2
[M+K]+ 392.92636 167.4
[M+H-H2O]+ 336.96046 153.4
[M+HCOO]- 398.96140 175.2
[M+CH3COO]- 412.97705 200.9
[M+Na-2H]- 374.93787 155.9
[M]+ 353.96265 163.6
[M]- 353.96375 163.6
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