CID 643048

5-chloropentanal

Structural Information

Molecular Formula
C5H9ClO
SMILES
C(CCCl)CC=O
InChI
InChI=1S/C5H9ClO/c6-4-2-1-3-5-7/h5H,1-4H2
InChIKey
ZNLHWEDEIKEQDK-UHFFFAOYSA-N
Compound name
5-chloropentanal
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

720
Patents

120.034195 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 121.041471 121.0
[M+Na]+ 143.023413 129.7
[M-H]- 119.026919 121.3
[M+NH4]+ 138.068018 144.5
[M+K]+ 158.997353 127.6
[M+H-H2O]+ 103.031455 117.9
[M+HCOO]- 165.032396 141.0
[M+CH3COO]- 179.048046 169.3
[M+Na-2H]- 141.008861 128.4
[M]+ 120.03364642 124.4
[M]- 120.03474358 124.4
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