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]+ 147.020736 120.4
[M+Na]+ 169.002678 128.2
[M-H]- 145.006184 124.2
[M+NH4]+ 164.047283 136.4
[M+K]+ 184.976618 128.9
[M+H-H2O]+ 129.010720 112.1
[M+HCOO]- 191.011661 138.2
[M+CH3COO]- 205.027311 176.8
[M+Na-2H]- 166.988126 125.5
[M]+ 146.01291142 130.5
[M]- 146.01400858 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.