CID 116863806

2-chloro-1-(oxan-4-yl)propan-1-one

Structural Information

Molecular Formula
C8H13ClO2
SMILES
CC(C(=O)C1CCOCC1)Cl
InChI
InChI=1S/C8H13ClO2/c1-6(9)8(10)7-2-4-11-5-3-7/h6-7H,2-5H2,1H3
InChIKey
SWVNUEQXKRURFU-UHFFFAOYSA-N
Compound name
2-chloro-1-(oxan-4-yl)propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

176.06041 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.067686 136.4
[M+Na]+ 199.049628 141.7
[M-H]- 175.053134 139.8
[M+NH4]+ 194.094233 155.7
[M+K]+ 215.023568 141.0
[M+H-H2O]+ 159.057670 131.9
[M+HCOO]- 221.058611 150.2
[M+CH3COO]- 235.074261 178.1
[M+Na-2H]- 197.035076 140.3
[M]+ 176.05986142 135.2
[M]- 176.06095858 135.2
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.