CID 2739049

Maybridge4_003975

Structural Information

Molecular Formula

C₁₃H₁₃F₃N₄

SMILES

C1CCN(C1)C(=NC2=CC=CC=C2C(F)(F)F)NC#N

InChI

InChI=1S/C13H13F3N4/c14-13(15,16)10-5-1-2-6-11(10)19-12(18-9-17)20-7-3-4-8-20/h1-2,5-6H,3-4,7-8H2,(H,18,19)

InChIKey

OXAZXIZSEVFMJN-UHFFFAOYSA-N

Compound name

N-cyano-N'-[2-(trifluoromethyl)phenyl]pyrrolidine-1-carboximidamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 5
References: 0
Patents: 282.10922 Da
Monoisotopic Mass: 2.8
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]+	283.116496	161.2
[M+Na]+	305.098438	168.3
[M-H]-	281.101944	162.0
[M+NH4]+	300.143043	175.1
[M+K]+	321.072378	163.7
[M+H-H2O]+	265.106480	143.7
[M+HCOO]-	327.107421	176.9
[M+CH3COO]-	341.123071	212.8
[M+Na-2H]-	303.083886	163.2
[M]+	282.10867142	148.8
[M]-	282.10976858	148.8

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.