CID 58035910

1-chloro-5-methoxypentan-2-one

Structural Information

Molecular Formula
C6H11ClO2
SMILES
COCCCC(=O)CCl
InChI
InChI=1S/C6H11ClO2/c1-9-4-2-3-6(8)5-7/h2-5H2,1H3
InChIKey
WTFZHKLNVYRRDT-UHFFFAOYSA-N
Compound name
1-chloro-5-methoxypentan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

150.04475 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 151.052026 128.6
[M+Na]+ 173.033968 136.7
[M-H]- 149.037474 128.9
[M+NH4]+ 168.078573 150.9
[M+K]+ 189.007908 135.1
[M+H-H2O]+ 133.042010 125.2
[M+HCOO]- 195.042951 147.7
[M+CH3COO]- 209.058601 175.0
[M+Na-2H]- 171.019416 134.2
[M]+ 150.04420142 133.3
[M]- 150.04529858 133.3
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