CID 23297122

5-(4-chlorophenoxy)pentanal

Structural Information

Molecular Formula
C11H13ClO2
SMILES
C1=CC(=CC=C1OCCCCC=O)Cl
InChI
InChI=1S/C11H13ClO2/c12-10-4-6-11(7-5-10)14-9-3-1-2-8-13/h4-8H,1-3,9H2
InChIKey
LSDQSFHVEXRKLV-UHFFFAOYSA-N
Compound name
5-(4-chlorophenoxy)pentanal
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

25
Patents

212.06041 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.067686 143.6
[M+Na]+ 235.049628 152.2
[M-H]- 211.053134 147.0
[M+NH4]+ 230.094233 163.5
[M+K]+ 251.023568 148.3
[M+H-H2O]+ 195.057670 138.5
[M+HCOO]- 257.058611 163.7
[M+CH3COO]- 271.074261 185.5
[M+Na-2H]- 233.035076 149.7
[M]+ 212.05986142 148.9
[M]- 212.06095858 148.9
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

No patent data available for this compound.