CID 88682

20757-87-3

Structural Information

Molecular Formula
C5H7ClO
SMILES
C=CC(=O)CCCl
InChI
InChI=1S/C5H7ClO/c1-2-5(7)3-4-6/h2H,1,3-4H2
InChIKey
XLFDSXRUZDTNER-UHFFFAOYSA-N
Compound name
5-chloropent-1-en-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

434
Patents

118.01854 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 119.02582 119.6
[M+Na]+ 141.00776 128.5
[M-H]- 117.01126 120.2
[M+NH4]+ 136.05236 143.1
[M+K]+ 156.98170 126.1
[M+H-H2O]+ 101.01580 116.7
[M+HCOO]- 163.01674 138.9
[M+CH3COO]- 177.03239 169.1
[M+Na-2H]- 138.99321 125.8
[M]+ 118.01799 121.7
[M]- 118.01909 121.7
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