CID 91787

2-chlorononanoic acid

Structural Information

Molecular Formula
C9H17ClO2
SMILES
CCCCCCCC(C(=O)O)Cl
InChI
InChI=1S/C9H17ClO2/c1-2-3-4-5-6-7-8(10)9(11)12/h8H,2-7H2,1H3,(H,11,12)
InChIKey
BPPQZFLRCMEVEC-UHFFFAOYSA-N
Compound name
2-chlorononanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

23
Patents

192.0917 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.098976 143.5
[M+Na]+ 215.080918 149.7
[M-H]- 191.084424 141.9
[M+NH4]+ 210.125523 163.3
[M+K]+ 231.054858 146.8
[M+H-H2O]+ 175.088960 139.8
[M+HCOO]- 237.089901 159.1
[M+CH3COO]- 251.105551 182.1
[M+Na-2H]- 213.066366 145.6
[M]+ 192.09115142 146.7
[M]- 192.09224858 146.7
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

patents stripe