CID 3950258

3-chloro-n-octylbenzamide

Structural Information

Molecular Formula
C15H22ClNO
SMILES
CCCCCCCCNC(=O)C1=CC(=CC=C1)Cl
InChI
InChI=1S/C15H22ClNO/c1-2-3-4-5-6-7-11-17-15(18)13-9-8-10-14(16)12-13/h8-10,12H,2-7,11H2,1H3,(H,17,18)
InChIKey
GIFHQUDQNHMFLG-UHFFFAOYSA-N
Compound name
3-chloro-N-octylbenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

267.13898 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.14626 164.6
[M+Na]+ 290.12820 170.4
[M-H]- 266.13170 167.3
[M+NH4]+ 285.17280 181.9
[M+K]+ 306.10214 165.3
[M+H-H2O]+ 250.13624 158.5
[M+HCOO]- 312.13718 183.1
[M+CH3COO]- 326.15283 200.5
[M+Na-2H]- 288.11365 167.4
[M]+ 267.13843 168.4
[M]- 267.13953 168.4
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

No patent data available for this compound.