CID 12484123

2-(cyclohexyloxy)acetyl chloride

Structural Information

Molecular Formula
C8H13ClO2
SMILES
C1CCC(CC1)OCC(=O)Cl
InChI
InChI=1S/C8H13ClO2/c9-8(10)6-11-7-4-2-1-3-5-7/h7H,1-6H2
InChIKey
JQIGKLRAYDRBHC-UHFFFAOYSA-N
Compound name
2-cyclohexyloxyacetyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

51
Patents

176.06041 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.06769 136.2
[M+Na]+ 199.04963 141.7
[M-H]- 175.05313 138.8
[M+NH4]+ 194.09423 156.8
[M+K]+ 215.02357 139.6
[M+H-H2O]+ 159.05767 131.6
[M+HCOO]- 221.05861 151.9
[M+CH3COO]- 235.07426 177.3
[M+Na-2H]- 197.03508 140.3
[M]+ 176.05986 135.0
[M]- 176.06096 135.0
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

patents stripe