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]+ 378.983416 163.1
[M+Na]+ 400.965358 171.7
[M-H]- 376.968864 148.5
[M+NH4]+ 396.009963 153.1
[M+K]+ 416.939298 170.2
[M+H-H2O]+ 360.973400 150.5
[M+HCOO]- 422.974341 161.7
[M+CH3COO]- 436.989991 212.7
[M+Na-2H]- 398.950806 165.4
[M]+ 377.97559142 146.8
[M]- 377.97668858 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