CID 3597656

3-chloro-n-heptylbenzamide

Structural Information

Molecular Formula
C14H20ClNO
SMILES
CCCCCCCNC(=O)C1=CC(=CC=C1)Cl
InChI
InChI=1S/C14H20ClNO/c1-2-3-4-5-6-10-16-14(17)12-8-7-9-13(15)11-12/h7-9,11H,2-6,10H2,1H3,(H,16,17)
InChIKey
SCYWBGROYTZINS-UHFFFAOYSA-N
Compound name
3-chloro-N-heptylbenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

253.12334 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.13062 160.0
[M+Na]+ 276.11256 166.3
[M-H]- 252.11606 162.8
[M+NH4]+ 271.15716 177.9
[M+K]+ 292.08650 161.3
[M+H-H2O]+ 236.12060 154.1
[M+HCOO]- 298.12154 178.8
[M+CH3COO]- 312.13719 197.5
[M+Na-2H]- 274.09801 163.3
[M]+ 253.12279 163.4
[M]- 253.12389 163.4
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.