CID 32840

25216-26-6

Structural Information

Molecular Formula

C₁₃H₁₂BrNO₂

SMILES

C1=CC=C2C(=C1)C=CC=C2NC(=O)OCCBr

InChI

InChI=1S/C13H12BrNO2/c14-8-9-17-13(16)15-12-7-3-5-10-4-1-2-6-11(10)12/h1-7H,8-9H2,(H,15,16)

InChIKey

DVYNYOIFPWKKHB-UHFFFAOYSA-N

Compound name

2-bromoethyl N-naphthalen-1-ylcarbamate

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 5
Patents: 293.00513 Da
Monoisotopic Mass: 2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	294.01241	157.4
[M+Na]+	315.99435	167.2
[M-H]-	291.99785	164.0
[M+NH4]+	311.03895	177.0
[M+K]+	331.96829	155.8
[M+H-H2O]+	276.00239	156.3
[M+HCOO]-	338.00333	178.4
[M+CH3COO]-	352.01898	198.9
[M+Na-2H]-	313.97980	165.6
[M]+	293.00458	176.8
[M]-	293.00568	176.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe