CID 3498634

Octyl n-(4-chlorophenyl)carbamate

Structural Information

Molecular Formula
C15H22ClNO2
SMILES
CCCCCCCCOC(=O)NC1=CC=C(C=C1)Cl
InChI
InChI=1S/C15H22ClNO2/c1-2-3-4-5-6-7-12-19-15(18)17-14-10-8-13(16)9-11-14/h8-11H,2-7,12H2,1H3,(H,17,18)
InChIKey
FHMILJKUETWBJN-UHFFFAOYSA-N
Compound name
octyl N-(4-chlorophenyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

19
Patents

283.1339 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.141176 167.7
[M+Na]+ 306.123118 173.5
[M-H]- 282.126624 170.4
[M+NH4]+ 301.167723 184.3
[M+K]+ 322.097058 168.9
[M+H-H2O]+ 266.131160 161.3
[M+HCOO]- 328.132101 186.4
[M+CH3COO]- 342.147751 201.8
[M+Na-2H]- 304.108566 170.5
[M]+ 283.13335142 172.8
[M]- 283.13444858 172.8
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