CID 71418654

2,2-difluoro-3-(nonafluorobutoxy)propanoic acid

Structural Information

Molecular Formula
C7H3F11O3
SMILES
C(C(C(=O)O)(F)F)OC(C(C(C(F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C7H3F11O3/c8-3(9,2(19)20)1-21-7(17,18)5(12,13)4(10,11)6(14,15)16/h1H2,(H,19,20)
InChIKey
BZUBYGPFEBCZQY-UHFFFAOYSA-N
Compound name
2,2-difluoro-3-(1,1,2,2,3,3,4,4,4-nonafluorobutoxy)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

343.99066 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 344.99794 185.9
[M+Na]+ 366.97988 185.7
[M+NH4]+ 362.02448 184.6
[M+K]+ 382.95382 184.1
[M-H]- 342.98338 178.9
[M+Na-2H]- 364.96533 182.8
[M]+ 343.99011 183.6
[M]- 343.99121 183.6
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

patents stripe