CID 5097017

2,2-diethylbutanoyl chloride

Structural Information

Molecular Formula
C8H15ClO
SMILES
CCC(CC)(CC)C(=O)Cl
InChI
InChI=1S/C8H15ClO/c1-4-8(5-2,6-3)7(9)10/h4-6H2,1-3H3
InChIKey
MUXPPYATEKVUBJ-UHFFFAOYSA-N
Compound name
2,2-diethylbutanoyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

136
Patents

162.08115 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 163.08843 134.7
[M+Na]+ 185.07037 142.5
[M-H]- 161.07387 135.1
[M+NH4]+ 180.11497 156.7
[M+K]+ 201.04431 140.2
[M+H-H2O]+ 145.07841 131.7
[M+HCOO]- 207.07935 151.3
[M+CH3COO]- 221.09500 179.4
[M+Na-2H]- 183.05582 139.9
[M]+ 162.08060 138.2
[M]- 162.08170 138.2
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.