CID 12197622

777-33-3

Structural Information

Molecular Formula
C6H4F3NO4
SMILES
C1[C@@H](C(=O)OC1=O)NC(=O)C(F)(F)F
InChI
InChI=1S/C6H4F3NO4/c7-6(8,9)5(13)10-2-1-3(11)14-4(2)12/h2H,1H2,(H,10,13)/t2-/m0/s1
InChIKey
ABTJOHYOWBAGTP-REOHCLBHSA-N
Compound name
N-[(3S)-2,5-dioxooxolan-3-yl]-2,2,2-trifluoroacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

119
Patents

211.00925 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.01653 134.7
[M+Na]+ 233.99847 143.2
[M-H]- 210.00197 135.5
[M+NH4]+ 229.04307 153.6
[M+K]+ 249.97241 143.3
[M+H-H2O]+ 194.00651 127.8
[M+HCOO]- 256.00745 153.9
[M+CH3COO]- 270.02310 184.0
[M+Na-2H]- 231.98392 138.6
[M]+ 211.00870 130.7
[M]- 211.00980 130.7
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.