CID 44222357

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

Structural Information

Molecular Formula
C6H9ClO
SMILES
C1C(CC1=O)CCCl
InChI
InChI=1S/C6H9ClO/c7-2-1-5-3-6(8)4-5/h5H,1-4H2
InChIKey
VIZDQBULIFUQSB-UHFFFAOYSA-N
Compound name
3-(2-chloroethyl)cyclobutan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

132.0342 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 133.04148 117.8
[M+Na]+ 155.02342 125.8
[M-H]- 131.02692 121.5
[M+NH4]+ 150.06802 134.5
[M+K]+ 170.99736 126.1
[M+H-H2O]+ 115.03146 109.7
[M+HCOO]- 177.03240 136.2
[M+CH3COO]- 191.04805 175.0
[M+Na-2H]- 153.00887 124.2
[M]+ 132.03365 127.8
[M]- 132.03475 127.8
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