CID 75530487

5-(trifluoromethoxy)pentanoic acid

Structural Information

Molecular Formula
C6H9F3O3
SMILES
C(CCOC(F)(F)F)CC(=O)O
InChI
InChI=1S/C6H9F3O3/c7-6(8,9)12-4-2-1-3-5(10)11/h1-4H2,(H,10,11)
InChIKey
NTGNUWISBUYICC-UHFFFAOYSA-N
Compound name
5-(trifluoromethoxy)pentanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

186.05038 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.05766 134.4
[M+Na]+ 209.03960 141.8
[M-H]- 185.04310 129.4
[M+NH4]+ 204.08420 153.4
[M+K]+ 225.01354 141.0
[M+H-H2O]+ 169.04764 127.6
[M+HCOO]- 231.04858 151.9
[M+CH3COO]- 245.06423 178.3
[M+Na-2H]- 207.02505 138.7
[M]+ 186.04983 132.4
[M]- 186.05093 132.4
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.