CID 138394989

Dtxsid80892364

Structural Information

Molecular Formula
C8HF15O3
SMILES
C(=O)(C(C(F)(F)F)(C(F)(F)F)OC(C(C(C(F)(F)F)(F)F)(F)F)(F)F)O
InChI
InChI=1S/C8HF15O3/c9-3(10,7(19,20)21)4(11,12)8(22,23)26-2(1(24)25,5(13,14)15)6(16,17)18/h(H,24,25)
InChIKey
ULUVMBGHGJEJLY-UHFFFAOYSA-N
Compound name
3,3,3-trifluoro-2-(1,1,2,2,3,3,4,4,4-nonafluorobutoxy)-2-(trifluoromethyl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

429.96863 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 430.97591 151.0
[M+Na]+ 452.95785 157.0
[M-H]- 428.96135 158.2
[M+NH4]+ 448.00245 159.6
[M+K]+ 468.93179 162.1
[M+H-H2O]+ 412.96589 162.6
[M+HCOO]- 474.96683 170.3
[M+CH3COO]- 488.98248 221.5
[M+Na-2H]- 450.94330 179.6
[M]+ 429.96808 149.4
[M]- 429.96918 149.4
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

patents stripe