CID 162396573

Dtxsid201034210

Structural Information

Molecular Formula
C8H4F12O5
SMILES
C(C(=O)O)OC(C(OC(C(C(OC(F)(F)F)(F)F)(F)F)(F)F)F)(F)F
InChI
InChI=1S/C8H4F12O5/c9-3(4(10,11)23-1-2(21)22)24-6(14,15)5(12,13)7(16,17)25-8(18,19)20/h3H,1H2,(H,21,22)
InChIKey
QABCCHCGRYFXHT-UHFFFAOYSA-N
Compound name
2-[1,1,2-trifluoro-2-[1,1,2,2,3,3-hexafluoro-3-(trifluoromethoxy)propoxy]ethoxy]acetic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

407.98672 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 408.99400 150.4
[M+Na]+ 430.97594 156.5
[M-H]- 406.97944 155.9
[M+NH4]+ 426.02054 159.1
[M+K]+ 446.94988 177.0
[M+H-H2O]+ 390.98398 157.2
[M+HCOO]- 452.98492 166.8
[M+CH3COO]- 467.00057 217.3
[M+Na-2H]- 428.96139 172.3
[M]+ 407.98617 148.3
[M]- 407.98727 148.3
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

No patent data available for this compound.