CID 5818818

Carbamic acid, n-(3-bromoallyl)-, 1-naphthyl ester

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]+ 306.012406 160.7
[M+Na]+ 327.994348 170.5
[M-H]- 303.997854 167.2
[M+NH4]+ 323.038953 179.9
[M+K]+ 343.968288 158.4
[M+H-H2O]+ 288.002390 159.6
[M+HCOO]- 350.003331 181.6
[M+CH3COO]- 364.018981 200.3
[M+Na-2H]- 325.979796 168.5
[M]+ 305.00458142 179.8
[M]- 305.00567858 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.