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

0
Patents

297.05566 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.062936 165.0
[M+Na]+ 320.044878 173.5
[M-H]- 296.048384 172.5
[M+NH4]+ 315.089483 181.6
[M+K]+ 336.018818 167.6
[M+H-H2O]+ 280.052920 157.6
[M+HCOO]- 342.053861 184.2
[M+CH3COO]- 356.069511 177.0
[M+Na-2H]- 318.030326 171.9
[M]+ 297.05511142 167.7
[M]- 297.05620858 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