CID 162396484

Dtxsid301034168

Structural Information

Molecular Formula
C7H2F12O5
SMILES
C(C(=O)O)(C(OC(C(OC(OC(F)(F)F)(F)F)(F)F)(F)F)(F)F)F
InChI
InChI=1S/C7H2F12O5/c8-1(2(20)21)3(9,10)22-4(11,12)5(13,14)23-7(18,19)24-6(15,16)17/h1H,(H,20,21)
InChIKey
CWABFOMIQYBAJN-UHFFFAOYSA-N
Compound name
3-[2-[difluoro(trifluoromethoxy)methoxy]-1,1,2,2-tetrafluoroethoxy]-2,3,3-trifluoropropanoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

393.97107 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 394.97835 165.4
[M+Na]+ 416.96029 152.7
[M-H]- 392.96379 152.3
[M+NH4]+ 412.00489 155.2
[M+K]+ 432.93423 173.0
[M+H-H2O]+ 376.96833 152.7
[M+HCOO]- 438.96927 163.2
[M+CH3COO]- 452.98492 214.6
[M+Na-2H]- 414.94574 168.1
[M]+ 393.97052 144.4
[M]- 393.97162 144.4
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.