CID 14671316

15166-06-0

Structural Information

Molecular Formula
C8HF15O2
SMILES
C(=O)(C(C(C(C(C(C(F)(F)F)(C(F)(F)F)F)(F)F)(F)F)(F)F)(F)F)O
InChI
InChI=1S/C8HF15O2/c9-2(10,1(24)25)4(12,13)6(16,17)5(14,15)3(11,7(18,19)20)8(21,22)23/h(H,24,25)
InChIKey
KPBOPOXIOBBZTR-UHFFFAOYSA-N
Compound name
2,2,3,3,4,4,5,5,6,7,7,7-dodecafluoro-6-(trifluoromethyl)heptanoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

21
Patents

413.9737 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 414.98098 173.6
[M+Na]+ 436.96292 156.3
[M-H]- 412.96642 156.5
[M+NH4]+ 432.00752 157.9
[M+K]+ 452.93686 179.9
[M+H-H2O]+ 396.97096 159.8
[M+HCOO]- 458.97190 169.1
[M+CH3COO]- 472.98755 220.3
[M+Na-2H]- 434.94837 176.3
[M]+ 413.97315 148.4
[M]- 413.97425 148.4
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

patents stripe