CID 102213916

2-[2-(2-chloro-1,1,2,3,3,3-hexafluoropropoxy)-1,1,2,3,3,3-hexafluoropropoxy]-2,2-difluoroacetic acid

Structural Information

Molecular Formula
C8HClF14O4
SMILES
C(=O)(C(OC(C(C(F)(F)F)(OC(C(C(F)(F)F)(F)Cl)(F)F)F)(F)F)(F)F)O
InChI
InChI=1S/C8HClF14O4/c9-3(12,5(14,15)16)7(20,21)27-4(13,6(17,18)19)8(22,23)26-2(10,11)1(24)25/h(H,24,25)
InChIKey
HXIGDGTWZUCBGD-UHFFFAOYSA-N
Compound name
2-[2-(2-chloro-1,1,2,3,3,3-hexafluoropropoxy)-1,1,2,3,3,3-hexafluoropropoxy]-2,2-difluoroacetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

461.934 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 462.94128 154.5
[M+Na]+ 484.92322 160.3
[M-H]- 460.92672 162.9
[M+NH4]+ 479.96782 164.3
[M+K]+ 500.89716 165.6
[M+H-H2O]+ 444.93126 162.6
[M+HCOO]- 506.93220 174.0
[M+CH3COO]- 520.94785 224.2
[M+Na-2H]- 482.90867 154.0
[M]+ 461.93345 155.9
[M]- 461.93455 155.9
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.