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

14
Patents

283.1339 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.14118 167.7
[M+Na]+ 306.12312 173.5
[M-H]- 282.12662 170.4
[M+NH4]+ 301.16772 184.3
[M+K]+ 322.09706 168.9
[M+H-H2O]+ 266.13116 161.3
[M+HCOO]- 328.13210 186.4
[M+CH3COO]- 342.14775 201.8
[M+Na-2H]- 304.10857 170.5
[M]+ 283.13335 172.8
[M]- 283.13445 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