CID 4075983

14628-11-6

Structural Information

Molecular Formula

C₁₇H₁₁F₃N₂O₂

SMILES

C1=CC2=C(C(=C1)OC(=O)NC3=CC=CC(=C3)C(F)(F)F)N=CC=C2

InChI

InChI=1S/C17H11F3N2O2/c18-17(19,20)12-6-2-7-13(10-12)22-16(23)24-14-8-1-4-11-5-3-9-21-15(11)14/h1-10H,(H,22,23)

InChIKey

FNCZRSHUQASZJD-UHFFFAOYSA-N

Compound name

quinolin-8-yl N-[3-(trifluoromethyl)phenyl]carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 1
Patents: 332.07727 Da
Monoisotopic Mass: 4.3
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]+	333.08455	173.1
[M+Na]+	355.06649	181.4
[M-H]-	331.06999	175.5
[M+NH4]+	350.11109	185.8
[M+K]+	371.04043	175.9
[M+H-H2O]+	315.07453	161.4
[M+HCOO]-	377.07547	190.6
[M+CH3COO]-	391.09112	209.2
[M+Na-2H]-	353.05194	179.5
[M]+	332.07672	170.0
[M]-	332.07782	170.0

Literature stripe

literature stripe

Patent stripe

patents stripe