CID 5818818

1-naphthyl n-(3-bromoallyl)carbamate

Structural Information

Molecular Formula
C14H12BrNO2
SMILES
C1=CC=C2C(=C1)C=CC=C2OC(=O)NC/C=C/Br
InChI
InChI=1S/C14H12BrNO2/c15-9-4-10-16-14(17)18-13-8-3-6-11-5-1-2-7-12(11)13/h1-9H,10H2,(H,16,17)/b9-4+
InChIKey
YBQHXZYFNQJVSL-RUDMXATFSA-N
Compound name
naphthalen-1-yl N-[(E)-3-bromoprop-2-enyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

305.00513 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.01241 158.5
[M+Na]+ 327.99435 161.7
[M+NH4]+ 323.03895 163.1
[M+K]+ 343.96829 160.4
[M-H]- 303.99785 159.7
[M+Na-2H]- 325.97980 162.0
[M]+ 305.00458 158.0
[M]- 305.00568 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.