CID 178200116

2-chloro-1-(4-methyloxan-4-yl)ethan-1-one

Structural Information

Molecular Formula
C8H13ClO2
SMILES
CC1(CCOCC1)C(=O)CCl
InChI
InChI=1S/C8H13ClO2/c1-8(7(10)6-9)2-4-11-5-3-8/h2-6H2,1H3
InChIKey
USEGWIYJAMSVEN-UHFFFAOYSA-N
Compound name
2-chloro-1-(4-methyloxan-4-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

176.06041 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.067686 135.1
[M+Na]+ 199.049628 141.5
[M-H]- 175.053134 138.7
[M+NH4]+ 194.094233 156.5
[M+K]+ 215.023568 140.6
[M+H-H2O]+ 159.057670 131.4
[M+HCOO]- 221.058611 149.9
[M+CH3COO]- 235.074261 176.8
[M+Na-2H]- 197.035076 141.4
[M]+ 176.05986142 134.7
[M]- 176.06095858 134.7
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.