CID 52915299

919005-14-4

Structural Information

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

2D Structure

compound 2d structure
3
Annotation Hits

4
References

117
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

literature stripe

Patent stripe

patents stripe