CID 129771134

Dtxsid50896379

Structural Information

Molecular Formula
C10HF11O2
SMILES
C1(=C(C(=C(C(=C1F)F)C(C(F)(F)F)(C(F)(F)F)F)F)F)C(=O)O
InChI
InChI=1S/C10HF11O2/c11-3-1(7(22)23)4(12)6(14)2(5(3)13)8(15,9(16,17)18)10(19,20)21/h(H,22,23)
InChIKey
LZSQJYLYIHNMKJ-UHFFFAOYSA-N
Compound name
2,3,5,6-tetrafluoro-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

361.9801 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 362.98738 185.3
[M+Na]+ 384.96932 186.2
[M+NH4]+ 380.01392 184.3
[M+K]+ 400.94326 184.0
[M-H]- 360.97282 179.3
[M+Na-2H]- 382.95477 182.9
[M]+ 361.97955 183.4
[M]- 361.98065 183.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.