CID 90481562

2,4-dichlorobenzyl 2-naphthylcarbamate

Structural Information

Molecular Formula
C18H13Cl2NO2
SMILES
C1=CC=C2C=C(C=CC2=C1)NC(=O)OCC3=C(C=C(C=C3)Cl)Cl
InChI
InChI=1S/C18H13Cl2NO2/c19-15-7-5-14(17(20)10-15)11-23-18(22)21-16-8-6-12-3-1-2-4-13(12)9-16/h1-10H,11H2,(H,21,22)
InChIKey
XMWBOMYJDJBDBW-UHFFFAOYSA-N
Compound name
(2,4-dichlorophenyl)methyl N-naphthalen-2-ylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

345.03235 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 346.039626 175.6
[M+Na]+ 368.021568 185.0
[M-H]- 344.025074 182.5
[M+NH4]+ 363.066173 191.1
[M+K]+ 383.995508 177.9
[M+H-H2O]+ 328.029610 168.9
[M+HCOO]- 390.030551 189.4
[M+CH3COO]- 404.046201 186.8
[M+Na-2H]- 366.007016 180.5
[M]+ 345.03180142 180.6
[M]- 345.03289858 180.6
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.