CID 162679432

Moe-pfcas(n1)

Structural Information

Molecular Formula
C5HF9O3
SMILES
C(=O)(C(C(F)(F)F)(C(F)(F)F)OC(F)(F)F)O
InChI
InChI=1S/C5HF9O3/c6-3(7,8)2(1(15)16,4(9,10)11)17-5(12,13)14/h(H,15,16)
InChIKey
XJDKWRSBHXOBEK-UHFFFAOYSA-N
Compound name
3,3,3-trifluoro-2-(trifluoromethoxy)-2-(trifluoromethyl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

279.9782 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.98548 144.2
[M+Na]+ 302.96742 153.5
[M-H]- 278.97092 132.8
[M+NH4]+ 298.01202 158.9
[M+K]+ 318.94136 152.1
[M+H-H2O]+ 262.97546 134.0
[M+HCOO]- 324.97640 151.0
[M+CH3COO]- 338.99205 193.5
[M+Na-2H]- 300.95287 148.6
[M]+ 279.97765 131.3
[M]- 279.97875 131.3
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.