CID 17039898

49612-03-5

Structural Information

Molecular Formula

C₁₁H₁₀F₃N₃

SMILES

CC1=CC(=C2C=CC=C(C2=N1)C(F)(F)F)NN

InChI

InChI=1S/C11H10F3N3/c1-6-5-9(17-15)7-3-2-4-8(10(7)16-6)11(12,13)14/h2-5H,15H2,1H3,(H,16,17)

InChIKey

LKTGVCXKNSHIAV-UHFFFAOYSA-N

Compound name

[2-methyl-8-(trifluoromethyl)quinolin-4-yl]hydrazine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 241.08269 Da
Monoisotopic Mass: 2.7
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]+	242.08997	149.6
[M+Na]+	264.07191	159.5
[M-H]-	240.07541	149.1
[M+NH4]+	259.11651	166.7
[M+K]+	280.04585	154.7
[M+H-H2O]+	224.07995	140.3
[M+HCOO]-	286.08089	168.7
[M+CH3COO]-	300.09654	198.0
[M+Na-2H]-	262.05736	156.4
[M]+	241.08214	144.3
[M]-	241.08324	144.3

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.