CID 58035869

1-chloro-3-cyclopropylpropan-2-one

Structural Information

Molecular Formula
C6H9ClO
SMILES
C1CC1CC(=O)CCl
InChI
InChI=1S/C6H9ClO/c7-4-6(8)3-5-1-2-5/h5H,1-4H2
InChIKey
HYFQCFUQCLJQIT-UHFFFAOYSA-N
Compound name
1-chloro-3-cyclopropylpropan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

132.0342 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 133.04148 123.3
[M+Na]+ 155.02342 133.0
[M-H]- 131.02692 127.8
[M+NH4]+ 150.06802 141.2
[M+K]+ 170.99736 130.0
[M+H-H2O]+ 115.03146 118.6
[M+HCOO]- 177.03240 142.5
[M+CH3COO]- 191.04805 175.2
[M+Na-2H]- 153.00887 129.4
[M]+ 132.03365 127.4
[M]- 132.03475 127.4
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

patents stripe