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]+ 346.03963 175.6
[M+Na]+ 368.02157 185.0
[M-H]- 344.02507 182.5
[M+NH4]+ 363.06617 191.1
[M+K]+ 383.99551 177.9
[M+H-H2O]+ 328.02961 168.9
[M+HCOO]- 390.03055 189.4
[M+CH3COO]- 404.04620 186.8
[M+Na-2H]- 366.00702 180.5
[M]+ 345.03180 180.6
[M]- 345.03290 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.