CID 14255

9-chlorononanoic acid

Structural Information

Molecular Formula
C9H17ClO2
SMILES
C(CCCCCl)CCCC(=O)O
InChI
InChI=1S/C9H17ClO2/c10-8-6-4-2-1-3-5-7-9(11)12/h1-8H2,(H,11,12)
InChIKey
DFJLDESPZKERQH-UHFFFAOYSA-N
Compound name
9-chlorononanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

52
Patents

192.0917 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.09898 143.4
[M+Na]+ 215.08092 149.8
[M-H]- 191.08442 141.7
[M+NH4]+ 210.12552 163.2
[M+K]+ 231.05486 146.4
[M+H-H2O]+ 175.08896 139.5
[M+HCOO]- 237.08990 159.9
[M+CH3COO]- 251.10555 181.3
[M+Na-2H]- 213.06637 146.7
[M]+ 192.09115 147.2
[M]- 192.09225 147.2
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