CID 12677

Brn 1915911

Structural Information

Molecular Formula
C10H12F6O5
SMILES
CCOC(=O)C(C(=O)OCC)C(C(F)(F)F)(C(F)(F)F)O
InChI
InChI=1S/C10H12F6O5/c1-3-20-6(17)5(7(18)21-4-2)8(19,9(11,12)13)10(14,15)16/h5,19H,3-4H2,1-2H3
InChIKey
HXVWSPYWLBVECZ-UHFFFAOYSA-N
Compound name
diethyl 2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)propanedioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

326.0589 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.06618 161.3
[M+Na]+ 349.04812 167.9
[M-H]- 325.05162 152.6
[M+NH4]+ 344.09272 162.3
[M+K]+ 365.02206 167.6
[M+H-H2O]+ 309.05616 152.5
[M+HCOO]- 371.05710 170.1
[M+CH3COO]- 385.07275 202.6
[M+Na-2H]- 347.03357 162.3
[M]+ 326.05835 156.3
[M]- 326.05945 156.3
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.