CID 58420740

(1,1,2,3,3,3-hexafluoropropoxy)acetic acid

Structural Information

Molecular Formula
C5H4F6O3
SMILES
C(C(=O)O)OC(C(C(F)(F)F)F)(F)F
InChI
InChI=1S/C5H4F6O3/c6-3(4(7,8)9)5(10,11)14-1-2(12)13/h3H,1H2,(H,12,13)
InChIKey
WHGFMLVGYMAHGO-UHFFFAOYSA-N
Compound name
2-(1,1,2,3,3,3-hexafluoropropoxy)acetic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

50
Patents

226.00647 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.013746 136.2
[M+Na]+ 248.995688 144.3
[M-H]- 224.999194 127.8
[M+NH4]+ 244.040293 153.2
[M+K]+ 264.969628 143.5
[M+H-H2O]+ 209.003730 127.5
[M+HCOO]- 271.004671 148.3
[M+CH3COO]- 285.020321 185.4
[M+Na-2H]- 246.981136 139.0
[M]+ 226.00592142 128.5
[M]- 226.00701858 128.5
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