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
2
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 158.9
[M+Na]+ 366.97988 167.7
[M-H]- 342.98338 145.3
[M+NH4]+ 362.02448 170.6
[M+K]+ 382.95382 165.5
[M+H-H2O]+ 326.98792 147.1
[M+HCOO]- 388.98886 161.4
[M+CH3COO]- 403.00451 207.2
[M+Na-2H]- 364.96533 162.3
[M]+ 343.99011 143.2
[M]- 343.99121 143.2
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