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

125
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

literature stripe

Patent stripe

patents stripe