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]+ 177.06769 136.4
[M+Na]+ 199.04963 141.7
[M-H]- 175.05313 139.8
[M+NH4]+ 194.09423 155.7
[M+K]+ 215.02357 141.0
[M+H-H2O]+ 159.05767 131.9
[M+HCOO]- 221.05861 150.2
[M+CH3COO]- 235.07426 178.1
[M+Na-2H]- 197.03508 140.3
[M]+ 176.05986 135.2
[M]- 176.06096 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.