CID 232379

2-chloroethyl n-(4-bromophenyl)carbamate

Structural Information

Molecular Formula
C9H9BrClNO2
SMILES
C1=CC(=CC=C1NC(=O)OCCCl)Br
InChI
InChI=1S/C9H9BrClNO2/c10-7-1-3-8(4-2-7)12-9(13)14-6-5-11/h1-4H,5-6H2,(H,12,13)
InChIKey
WIWWEOXZPMCYEG-UHFFFAOYSA-N
Compound name
2-chloroethyl N-(4-bromophenyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

276.95053 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.957806 148.7
[M+Na]+ 299.939748 160.2
[M-H]- 275.943254 154.8
[M+NH4]+ 294.984353 169.1
[M+K]+ 315.913688 147.7
[M+H-H2O]+ 259.947790 148.8
[M+HCOO]- 321.948731 166.9
[M+CH3COO]- 335.964381 193.5
[M+Na-2H]- 297.925196 155.7
[M]+ 276.94998142 169.8
[M]- 276.95107858 169.8
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