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]+ 277.95781 148.7
[M+Na]+ 299.93975 160.2
[M-H]- 275.94325 154.8
[M+NH4]+ 294.98435 169.1
[M+K]+ 315.91369 147.7
[M+H-H2O]+ 259.94779 148.8
[M+HCOO]- 321.94873 166.9
[M+CH3COO]- 335.96438 193.5
[M+Na-2H]- 297.92520 155.7
[M]+ 276.94998 169.8
[M]- 276.95108 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