CID 52915300

Difluoro-(1,1,2,2,3,3-hexafluoro-3-trifluoromethoxy-propoxy)-acetic acid

Structural Information

Molecular Formula
C6HF11O4
SMILES
C(=O)(C(OC(C(C(OC(F)(F)F)(F)F)(F)F)(F)F)(F)F)O
InChI
InChI=1S/C6HF11O4/c7-2(8,1(18)19)20-4(11,12)3(9,10)5(13,14)21-6(15,16)17/h(H,18,19)
InChIKey
PPLSBOFDIUXJMA-UHFFFAOYSA-N
Compound name
2,2-difluoro-2-[1,1,2,2,3,3-hexafluoro-3-(trifluoromethoxy)propoxy]acetic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

67
Patents

345.9699 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 346.977176 156.8
[M+Na]+ 368.959118 165.8
[M-H]- 344.962624 143.3
[M+NH4]+ 364.003723 144.9
[M+K]+ 384.933058 164.5
[M+H-H2O]+ 328.967160 145.0
[M+HCOO]- 390.968101 157.9
[M+CH3COO]- 404.983751 206.3
[M+Na-2H]- 366.944566 161.1
[M]+ 345.96935142 142.2
[M]- 345.97044858 142.2
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