CID 122163634

2-chloroethyl n-(3-bromophenyl)carbamate

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

276.95053 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.95781 149.7
[M+Na]+ 299.93975 152.9
[M+NH4]+ 294.98435 154.3
[M+K]+ 315.91369 152.3
[M-H]- 275.94325 150.2
[M+Na-2H]- 297.92520 153.1
[M]+ 276.94998 149.2
[M]- 276.95108 149.2
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

patents stripe