CID 155821405

3-(2-chloroacetyl)cyclobutan-1-one

Structural Information

Molecular Formula
C6H7ClO2
SMILES
C1C(CC1=O)C(=O)CCl
InChI
InChI=1S/C6H7ClO2/c7-3-6(9)4-1-5(8)2-4/h4H,1-3H2
InChIKey
SCGABGULQCWKFC-UHFFFAOYSA-N
Compound name
3-(2-chloroacetyl)cyclobutan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

146.01346 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 147.02074 120.4
[M+Na]+ 169.00268 128.2
[M-H]- 145.00618 124.2
[M+NH4]+ 164.04728 136.4
[M+K]+ 184.97662 128.9
[M+H-H2O]+ 129.01072 112.1
[M+HCOO]- 191.01166 138.2
[M+CH3COO]- 205.02731 176.8
[M+Na-2H]- 166.98813 125.5
[M]+ 146.01291 130.5
[M]- 146.01401 130.5
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.