CID 102331873

2-chloro-perfluoroethercarboxylate congener 0,2

Structural Information

Molecular Formula
C11HClF20O5
SMILES
C(=O)(C(OC(C(OC(C(OC(C(C(F)(F)F)(F)Cl)(F)F)(F)F)(C(F)(F)F)F)(F)F)(C(F)(F)F)F)(F)F)O
InChI
InChI=1S/C11HClF20O5/c12-3(15,6(18,19)20)9(27,28)37-11(31,32)5(17,8(24,25)26)36-10(29,30)4(16,7(21,22)23)35-2(13,14)1(33)34/h(H,33,34)
InChIKey
JGRBOYAJYKVCOB-UHFFFAOYSA-N
Compound name
2-[1-[1-(2-chloro-1,1,2,3,3,3-hexafluoropropoxy)-1,1,2,3,3,3-hexafluoropropan-2-yl]oxy-1,1,2,3,3,3-hexafluoropropan-2-yl]oxy-2,2-difluoroacetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

627.9193 Da
Monoisotopic Mass

7.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 628.92658 153.3
[M+Na]+ 650.90852 153.3
[M+NH4]+ 645.95312 153.3
[M+K]+ 666.88246 153.3
[M-H]- 626.91202 153.3
[M+Na-2H]- 648.89397 153.2
[M]+ 627.91875 153.3
[M]- 627.91985 153.3
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.