CID 2777390

131472-28-1

Structural Information

Molecular Formula

C₈H₇F₃N₂

SMILES

C1=CC(=CC=C1C(=N)N)C(F)(F)F

InChI

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

InChIKey

XFLGYXVBXUAGQV-UHFFFAOYSA-N

Compound name

4-(trifluoromethyl)benzenecarboximidamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 355
Patents: 188.05614 Da
Monoisotopic Mass: 1.8
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]+	189.063416	134.6
[M+Na]+	211.045358	142.4
[M-H]-	187.048864	134.2
[M+NH4]+	206.089963	153.4
[M+K]+	227.019298	139.2
[M+H-H2O]+	171.053400	126.5
[M+HCOO]-	233.054341	155.3
[M+CH3COO]-	247.069991	186.4
[M+Na-2H]-	209.030806	139.7
[M]+	188.05559142	126.5
[M]-	188.05668858	126.5

Literature stripe

literature stripe

Patent stripe

patents stripe