CID 52915299

Refchem:80841

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
6
Annotation Hits

4
References

157
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

literature stripe

Patent stripe

patents stripe