CID 12922156

1-chloro-3-methoxy-3-methylbutan-2-one

Structural Information

Molecular Formula
C6H11ClO2
SMILES
CC(C)(C(=O)CCl)OC
InChI
InChI=1S/C6H11ClO2/c1-6(2,9-3)5(8)4-7/h4H2,1-3H3
InChIKey
FWXZFIQYZBZQIE-UHFFFAOYSA-N
Compound name
1-chloro-3-methoxy-3-methylbutan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

150.04475 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 151.05203 128.1
[M+Na]+ 173.03397 136.7
[M-H]- 149.03747 128.8
[M+NH4]+ 168.07857 150.5
[M+K]+ 189.00791 135.5
[M+H-H2O]+ 133.04201 125.3
[M+HCOO]- 195.04295 145.7
[M+CH3COO]- 209.05860 175.3
[M+Na-2H]- 171.01942 134.4
[M]+ 150.04420 132.3
[M]- 150.04530 132.3
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

No patent data available for this compound.