CID 324537

62980-03-4

Structural Information

Molecular Formula

C₈H₇F₃N₂

SMILES

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

InChI

InChI=1S/C8H7F3N2/c9-8(10,11)6-3-1-2-5(4-6)7(12)13/h1-4H,(H3,12,13)

InChIKey

QDVHJZUOARUZME-UHFFFAOYSA-N

Compound name

3-(trifluoromethyl)benzenecarboximidamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 138
Patents: 188.05614 Da
Monoisotopic Mass: 2.4
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]+	189.06342	138.6
[M+Na]+	211.04536	146.2
[M+NH4]+	206.08996	144.2
[M+K]+	227.01930	141.9
[M-H]-	187.04886	136.4
[M+Na-2H]-	209.03081	142.9
[M]+	188.05559	138.6
[M]-	188.05669	138.6

Literature stripe

literature stripe

Patent stripe

patents stripe