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 166.8
[M+Na]+ 306.12312 178.2
[M+NH4]+ 301.16772 174.2
[M+K]+ 322.09706 170.1
[M-H]- 282.12662 168.8
[M+Na-2H]- 304.10857 172.1
[M]+ 283.13335 169.1
[M]- 283.13445 169.1
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