CID 156799864

2,2-difluorononanoic acid

Structural Information

Molecular Formula
C9H16F2O2
SMILES
CCCCCCCC(C(=O)O)(F)F
InChI
InChI=1S/C9H16F2O2/c1-2-3-4-5-6-7-9(10,11)8(12)13/h2-7H2,1H3,(H,12,13)
InChIKey
IRAJJUIEEGBXDZ-UHFFFAOYSA-N
Compound name
2,2-difluorononanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

194.11183 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.11911 143.0
[M+Na]+ 217.10105 149.1
[M-H]- 193.10455 138.8
[M+NH4]+ 212.14565 161.8
[M+K]+ 233.07499 147.5
[M+H-H2O]+ 177.10909 136.9
[M+HCOO]- 239.11003 160.3
[M+CH3COO]- 253.12568 183.2
[M+Na-2H]- 215.08650 146.2
[M]+ 194.11128 142.1
[M]- 194.11238 142.1
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