CID 71425840

2,3,3-trifluoro-3-(heptafluoropropoxy)propanoic acid

Structural Information

Molecular Formula
C6H2F10O3
SMILES
C(C(=O)O)(C(OC(C(C(F)(F)F)(F)F)(F)F)(F)F)F
InChI
InChI=1S/C6H2F10O3/c7-1(2(17)18)3(8,9)19-6(15,16)4(10,11)5(12,13)14/h1H,(H,17,18)
InChIKey
NJHXJUQTXSNSMP-UHFFFAOYSA-N
Compound name
2,3,3-trifluoro-3-(1,1,2,2,3,3,3-heptafluoropropoxy)propanoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

311.98444 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 312.99172 150.4
[M+Na]+ 334.97366 159.0
[M-H]- 310.97716 137.7
[M+NH4]+ 330.01826 163.4
[M+K]+ 350.94760 157.4
[M+H-H2O]+ 294.98170 139.2
[M+HCOO]- 356.98264 154.9
[M+CH3COO]- 370.99829 201.5
[M+Na-2H]- 332.95911 152.7
[M]+ 311.98389 136.0
[M]- 311.98499 136.0
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.