CID 13783710

131549-75-2

Structural Information

Molecular Formula

C₁₂H₁₄ClF₃N₂O

SMILES

CCCOCC(=NC1=C(C=C(C=C1)Cl)C(F)(F)F)N

InChI

InChI=1S/C12H14ClF3N2O/c1-2-5-19-7-11(17)18-10-4-3-8(13)6-9(10)12(14,15)16/h3-4,6H,2,5,7H2,1H3,(H2,17,18)

InChIKey

IUACFNXZIIQVDL-UHFFFAOYSA-N

Compound name

N'-[4-chloro-2-(trifluoromethyl)phenyl]-2-propoxyethanimidamide

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 0
References: 4
Patents: 294.07468 Da
Monoisotopic Mass: 3.3
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]+	295.081956	162.5
[M+Na]+	317.063898	170.7
[M-H]-	293.067404	163.0
[M+NH4]+	312.108503	179.0
[M+K]+	333.037838	165.9
[M+H-H2O]+	277.071940	154.1
[M+HCOO]-	339.072881	179.1
[M+CH3COO]-	353.088531	207.3
[M+Na-2H]-	315.049346	164.8
[M]+	294.07413142	161.6
[M]-	294.07522858	161.6

Literature stripe

literature stripe

Patent stripe

patents stripe