CID 8124

Octanoyl chloride

Structural Information

Molecular Formula
C8H15ClO
SMILES
CCCCCCCC(=O)Cl
InChI
InChI=1S/C8H15ClO/c1-2-3-4-5-6-7-8(9)10/h2-7H2,1H3
InChIKey
REEZZSHJLXOIHL-UHFFFAOYSA-N
Compound name
octanoyl chloride
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

8
References

8057
Patents

162.08115 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 163.08843 135.3
[M+Na]+ 185.07037 142.6
[M-H]- 161.07387 135.2
[M+NH4]+ 180.11497 157.1
[M+K]+ 201.04431 140.0
[M+H-H2O]+ 145.07841 131.6
[M+HCOO]- 207.07935 153.4
[M+CH3COO]- 221.09500 179.1
[M+Na-2H]- 183.05582 139.8
[M]+ 162.08060 139.2
[M]- 162.08170 139.2
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