CID 162396472

Dtxsid601032678

Structural Information

Molecular Formula
C7HCl2F11O4
SMILES
C(=O)(C(OC(C(OC(C(F)(F)Cl)(F)Cl)(F)F)(C(F)(F)F)F)(F)F)O
InChI
InChI=1S/C7HCl2F11O4/c8-4(13,14)5(9,15)24-7(19,20)3(12,6(16,17)18)23-2(10,11)1(21)22/h(H,21,22)
InChIKey
HMKODDSBKGJEOM-UHFFFAOYSA-N
Compound name
2-[1-(1,2-dichloro-1,2,2-trifluoroethoxy)-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

427.90762 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 428.91490 162.1
[M+Na]+ 450.89684 172.1
[M-H]- 426.90034 149.5
[M+NH4]+ 445.94144 161.4
[M+K]+ 466.87078 167.7
[M+H-H2O]+ 410.90488 152.3
[M+HCOO]- 472.90582 172.3
[M+CH3COO]- 486.92147 217.0
[M+Na-2H]- 448.88229 167.5
[M]+ 427.90707 151.1
[M]- 427.90817 151.1
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.