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

31
Patents

228.97385 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.98113 139.1
[M+Na]+ 251.96307 141.7
[M+NH4]+ 247.00767 143.6
[M+K]+ 267.93701 142.2
[M-H]- 227.96657 139.7
[M+Na-2H]- 249.94852 142.8
[M]+ 228.97330 138.3
[M]- 228.97440 138.3
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

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