CID 138396472

[(1-chloro-1,1,2,3,3,3-hexafluoropropan-2-yl)oxy](difluoro)acetic acid

Structural Information

Molecular Formula
C5HClF8O3
SMILES
C(=O)(C(OC(C(F)(F)F)(C(F)(F)Cl)F)(F)F)O
InChI
InChI=1S/C5HClF8O3/c6-4(10,11)3(9,5(12,13)14)17-2(7,8)1(15)16/h(H,15,16)
InChIKey
WTMCNJASEWFOJJ-UHFFFAOYSA-N
Compound name
2-(1-chloro-1,1,2,3,3,3-hexafluoropropan-2-yl)oxy-2,2-difluoroacetic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

295.94864 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.95592 142.6
[M+Na]+ 318.93786 152.5
[M-H]- 294.94136 132.6
[M+NH4]+ 313.98246 157.6
[M+K]+ 334.91180 149.3
[M+H-H2O]+ 278.94590 134.0
[M+HCOO]- 340.94684 146.3
[M+CH3COO]- 354.96249 195.5
[M+Na-2H]- 316.92331 147.7
[M]+ 295.94809 133.6
[M]- 295.94919 133.6
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.