CID 85175

2,2,3,3,4,4,5,6,6,6-decafluoro-5-(trifluoromethyl)hexanoic acid

Structural Information

Molecular Formula
C7HF13O2
SMILES
C(=O)(C(C(C(C(C(F)(F)F)(C(F)(F)F)F)(F)F)(F)F)(F)F)O
InChI
InChI=1S/C7HF13O2/c8-2(9,1(21)22)4(11,12)5(13,14)3(10,6(15,16)17)7(18,19)20/h(H,21,22)
InChIKey
QTDMKZFMFHHSLJ-UHFFFAOYSA-N
Compound name
2,2,3,3,4,4,5,6,6,6-decafluoro-5-(trifluoromethyl)hexanoic acid
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

18
Patents

363.9769 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 364.98418 162.3
[M+Na]+ 386.96612 171.6
[M-H]- 362.96962 147.3
[M+NH4]+ 382.01072 149.7
[M+K]+ 402.94006 168.9
[M+H-H2O]+ 346.97416 149.6
[M+HCOO]- 408.97510 162.3
[M+CH3COO]- 422.99075 211.3
[M+Na-2H]- 384.95157 165.4
[M]+ 363.97635 141.5
[M]- 363.97745 141.5
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