CID 296059

2-chloro-n-dodecylacetamide

Structural Information

Molecular Formula
C14H28ClNO
SMILES
CCCCCCCCCCCCNC(=O)CCl
InChI
InChI=1S/C14H28ClNO/c1-2-3-4-5-6-7-8-9-10-11-12-16-14(17)13-15/h2-13H2,1H3,(H,16,17)
InChIKey
IQNKUQDXFKGYSX-UHFFFAOYSA-N
Compound name
2-chloro-N-dodecylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

41
Patents

261.18594 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.19322 168.1
[M+Na]+ 284.17516 172.0
[M-H]- 260.17866 166.8
[M+NH4]+ 279.21976 185.6
[M+K]+ 300.14910 167.7
[M+H-H2O]+ 244.18320 162.6
[M+HCOO]- 306.18414 185.2
[M+CH3COO]- 320.19979 201.1
[M+Na-2H]- 282.16061 169.3
[M]+ 261.18539 173.4
[M]- 261.18649 173.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe