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)-2-pyridinyl]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

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	295.045576	158.5
[M+Na]+	317.027518	167.8
[M-H]-	293.031024	157.7
[M+NH4]+	312.072123	173.3
[M+K]+	333.001458	162.5
[M+H-H2O]+	277.035560	149.3
[M+HCOO]-	339.036501	167.9
[M+CH3COO]-	353.052151	195.6
[M+Na-2H]-	315.012966	158.6
[M]+	294.03775142	154.5
[M]-	294.03884858	154.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe