CID 187471

1-naphthyl n-(4-chlorophenyl)carbamate

Structural Information

Molecular Formula
C17H12ClNO2
SMILES
C1=CC=C2C(=C1)C=CC=C2OC(=O)NC3=CC=C(C=C3)Cl
InChI
InChI=1S/C17H12ClNO2/c18-13-8-10-14(11-9-13)19-17(20)21-16-7-3-5-12-4-1-2-6-15(12)16/h1-11H,(H,19,20)
InChIKey
OINVYIJNFZHAHK-UHFFFAOYSA-N
Compound name
naphthalen-1-yl N-(4-chlorophenyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

297.05566 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.06294 165.0
[M+Na]+ 320.04488 173.5
[M-H]- 296.04838 172.5
[M+NH4]+ 315.08948 181.6
[M+K]+ 336.01882 167.6
[M+H-H2O]+ 280.05292 157.6
[M+HCOO]- 342.05386 184.2
[M+CH3COO]- 356.06951 177.0
[M+Na-2H]- 318.03033 171.9
[M]+ 297.05511 167.7
[M]- 297.05621 167.7
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

patents stripe