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 160.7
[M+Na]+ 327.99435 170.5
[M-H]- 303.99785 167.2
[M+NH4]+ 323.03895 179.9
[M+K]+ 343.96829 158.4
[M+H-H2O]+ 288.00239 159.6
[M+HCOO]- 350.00333 181.6
[M+CH3COO]- 364.01898 200.3
[M+Na-2H]- 325.97980 168.5
[M]+ 305.00458 179.8
[M]- 305.00568 179.8
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

No patent data available for this compound.