CID 16783464

1188435-80-4

Structural Information

Molecular Formula
C11H10ClF3N2O2
SMILES
C1CC(N(C1)C2=C(C=C(C=N2)C(F)(F)F)Cl)C(=O)O
InChI
InChI=1S/C11H10ClF3N2O2/c12-7-4-6(11(13,14)15)5-16-9(7)17-3-1-2-8(17)10(18)19/h4-5,8H,1-3H2,(H,18,19)
InChIKey
WXKOCGWNMDEHQU-UHFFFAOYSA-N
Compound name
1-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]pyrrolidine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

294.0383 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.04558 158.5
[M+Na]+ 317.02752 167.8
[M-H]- 293.03102 157.7
[M+NH4]+ 312.07212 173.3
[M+K]+ 333.00146 162.5
[M+H-H2O]+ 277.03556 149.3
[M+HCOO]- 339.03650 167.9
[M+CH3COO]- 353.05215 195.6
[M+Na-2H]- 315.01297 158.6
[M]+ 294.03775 154.5
[M]- 294.03885 154.5
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

patents stripe