CID 2776395

238403-51-5

Structural Information

Molecular Formula
C9HF17O2
SMILES
C(=O)(C(C(C(C(C(F)(F)F)(C(F)(F)F)C(F)(F)F)(F)F)(C(F)(F)F)F)(F)F)O
InChI
InChI=1S/C9HF17O2/c10-2(11,1(27)28)4(12,9(24,25)26)5(13,14)3(6(15,16)17,7(18,19)20)8(21,22)23/h(H,27,28)
InChIKey
HVTQXQHCPONZQV-UHFFFAOYSA-N
Compound name
2,2,3,4,4,6,6,6-octafluoro-3,5,5-tris(trifluoromethyl)hexanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

26
Patents

463.97052 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 464.97780 158.2
[M+Na]+ 486.95974 164.0
[M-H]- 462.96324 166.3
[M+NH4]+ 482.00434 167.2
[M+K]+ 502.93368 171.1
[M+H-H2O]+ 446.96778 147.9
[M+HCOO]- 508.96872 177.1
[M+CH3COO]- 522.98437 227.7
[M+Na-2H]- 484.94519 158.3
[M]+ 463.96997 156.3
[M]- 463.97107 156.3
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