CID 74328

3-chloropentane-2,4-dione

Structural Information

Molecular Formula
C5H7ClO2
SMILES
CC(=O)C(C(=O)C)Cl
InChI
InChI=1S/C5H7ClO2/c1-3(7)5(6)4(2)8/h5H,1-2H3
InChIKey
VLRGXXKFHVJQOL-UHFFFAOYSA-N
Compound name
3-chloropentane-2,4-dione
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

10
References

3656
Patents

134.01346 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 135.02074 123.4
[M+Na]+ 157.00268 134.1
[M+NH4]+ 152.04728 131.1
[M+K]+ 172.97662 129.9
[M-H]- 133.00618 121.9
[M+Na-2H]- 154.98813 126.8
[M]+ 134.01291 124.5
[M]- 134.01401 124.5
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