CID 549476

36875-26-0

Structural Information

Molecular Formula
C8H12F3NO6
SMILES
C(C(C(C(C(C=O)NC(=O)C(F)(F)F)O)O)O)O
InChI
InChI=1S/C8H12F3NO6/c9-8(10,11)7(18)12-3(1-13)5(16)6(17)4(15)2-14/h1,3-6,14-17H,2H2,(H,12,18)
InChIKey
AIJZHZABXNACMO-UHFFFAOYSA-N
Compound name
2,2,2-trifluoro-N-(3,4,5,6-tetrahydroxy-1-oxohexan-2-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

76
Patents

275.06168 Da
Monoisotopic Mass

-2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.06896 153.3
[M+Na]+ 298.05090 156.8
[M-H]- 274.05440 143.8
[M+NH4]+ 293.09550 165.5
[M+K]+ 314.02484 156.4
[M+H-H2O]+ 258.05894 146.0
[M+HCOO]- 320.05988 163.6
[M+CH3COO]- 334.07553 191.0
[M+Na-2H]- 296.03635 150.8
[M]+ 275.06113 146.5
[M]- 275.06223 146.5
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

No patent data available for this compound.