CID 80146793

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

Structural Information

Molecular Formula
C7H11ClO2
SMILES
C1COCCC1C(=O)CCl
InChI
InChI=1S/C7H11ClO2/c8-5-7(9)6-1-3-10-4-2-6/h6H,1-5H2
InChIKey
OREASYJLRUTGTC-UHFFFAOYSA-N
Compound name
2-chloro-1-(oxan-4-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

162.04475 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 163.05203 131.8
[M+Na]+ 185.03397 137.7
[M-H]- 161.03747 135.2
[M+NH4]+ 180.07857 151.7
[M+K]+ 201.00791 136.8
[M+H-H2O]+ 145.04201 127.3
[M+HCOO]- 207.04295 146.8
[M+CH3COO]- 221.05860 174.2
[M+Na-2H]- 183.01942 137.4
[M]+ 162.04420 130.7
[M]- 162.04530 130.7
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

patents stripe