CID 597112

92076-93-2

Structural Information

Molecular Formula
C7H8F3NO3
SMILES
C1CC(N(C1)C(=O)C(F)(F)F)C(=O)O
InChI
InChI=1S/C7H8F3NO3/c8-7(9,10)6(14)11-3-1-2-4(11)5(12)13/h4H,1-3H2,(H,12,13)
InChIKey
PHJVUZNDIHXSDI-UHFFFAOYSA-N
Compound name
1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

59
Patents

211.04562 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.05290 139.4
[M+Na]+ 234.03484 146.6
[M-H]- 210.03834 136.4
[M+NH4]+ 229.07944 157.7
[M+K]+ 250.00878 145.3
[M+H-H2O]+ 194.04288 131.8
[M+HCOO]- 256.04382 154.0
[M+CH3COO]- 270.05947 180.5
[M+Na-2H]- 232.02029 140.1
[M]+ 211.04507 132.8
[M]- 211.04617 132.8
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