CID 10630466

3-(chloromethyl)cyclobutan-1-one

Structural Information

Molecular Formula
C5H7ClO
SMILES
C1C(CC1=O)CCl
InChI
InChI=1S/C5H7ClO/c6-3-4-1-5(7)2-4/h4H,1-3H2
InChIKey
WGNWWGRZUVTWEX-UHFFFAOYSA-N
Compound name
3-(chloromethyl)cyclobutan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

1
Patents

118.01854 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 119.02582 114.4
[M+Na]+ 141.00776 122.7
[M+NH4]+ 136.05236 120.2
[M+K]+ 156.98170 118.4
[M-H]- 117.01126 113.4
[M+Na-2H]- 138.99321 118.4
[M]+ 118.01799 114.4
[M]- 118.01909 114.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe