CID 162396604

Schembl24785475

Structural Information

Molecular Formula
C7H2F12O4
SMILES
C(C(=O)O)(C(OC(C(C(OC(F)(F)F)(F)F)(F)F)(F)F)(F)F)F
InChI
InChI=1S/C7H2F12O4/c8-1(2(20)21)3(9,10)22-5(13,14)4(11,12)6(15,16)23-7(17,18)19/h1H,(H,20,21)
InChIKey
UVYQURGEARNVKR-UHFFFAOYSA-N
Compound name
2,3,3-trifluoro-3-[1,1,2,2,3,3-hexafluoro-3-(trifluoromethoxy)propoxy]propanoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1
Patents

377.97614 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 378.98342 163.1
[M+Na]+ 400.96536 171.7
[M-H]- 376.96886 148.5
[M+NH4]+ 396.00996 153.1
[M+K]+ 416.93930 170.2
[M+H-H2O]+ 360.97340 150.5
[M+HCOO]- 422.97434 161.7
[M+CH3COO]- 436.98999 212.7
[M+Na-2H]- 398.95081 165.4
[M]+ 377.97559 146.8
[M]- 377.97669 146.8
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