CID 15472737

271245-28-4

Structural Information

Molecular Formula
C16H23ClINO3
SMILES
CC(C)(C)OC(=O)NCCOC(C)(CI)C1=CC=C(C=C1)Cl
InChI
InChI=1S/C16H23ClINO3/c1-15(2,3)22-14(20)19-9-10-21-16(4,11-18)12-5-7-13(17)8-6-12/h5-8H,9-11H2,1-4H3,(H,19,20)
InChIKey
YKDQKLZKLXUEAA-UHFFFAOYSA-N
Compound name
tert-butyl N-[2-[2-(4-chlorophenyl)-1-iodopropan-2-yl]oxyethyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

439.0411 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 440.04838 194.2
[M+Na]+ 462.03032 193.0
[M-H]- 438.03382 190.3
[M+NH4]+ 457.07492 204.2
[M+K]+ 478.00426 195.4
[M+H-H2O]+ 422.03836 184.7
[M+HCOO]- 484.03930 204.5
[M+CH3COO]- 498.05495 216.6
[M+Na-2H]- 460.01577 185.3
[M]+ 439.04055 197.1
[M]- 439.04165 197.1
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.