CID 217004

37989-07-4

Structural Information

Molecular Formula

C₁₀H₇F₃N₂

SMILES

C1=CC=C2C(=C1)C=C(N=C2N)C(F)(F)F

InChI

InChI=1S/C10H7F3N2/c11-10(12,13)8-5-6-3-1-2-4-7(6)9(14)15-8/h1-5H,(H2,14,15)

InChIKey

RQSLDKMQAXIEDQ-UHFFFAOYSA-N

Compound name

3-(trifluoromethyl)isoquinolin-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 212.05614 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]+	213.06342	142.4
[M+Na]+	235.04536	152.9
[M+NH4]+	230.08996	149.0
[M+K]+	251.01930	147.2
[M-H]-	211.04886	140.8
[M+Na-2H]-	233.03081	147.9
[M]+	212.05559	143.2
[M]-	212.05669	143.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe