CID 5203164

Methyl n-(4-bromophenyl)carbamate

Structural Information

Molecular Formula
C8H8BrNO2
SMILES
COC(=O)NC1=CC=C(C=C1)Br
InChI
InChI=1S/C8H8BrNO2/c1-12-8(11)10-7-4-2-6(9)3-5-7/h2-5H,1H3,(H,10,11)
InChIKey
GLRFFVNPNGTCSW-UHFFFAOYSA-N
Compound name
methyl N-(4-bromophenyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

41
Patents

228.97385 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.981126 139.1
[M+Na]+ 251.963068 150.0
[M-H]- 227.966574 145.5
[M+NH4]+ 247.007673 160.4
[M+K]+ 267.937008 139.8
[M+H-H2O]+ 211.971110 138.6
[M+HCOO]- 273.972051 161.9
[M+CH3COO]- 287.987701 187.2
[M+Na-2H]- 249.948516 147.0
[M]+ 228.97330142 158.0
[M]- 228.97439858 158.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe