CID 19841587

1225613-82-0

Structural Information

Molecular Formula

C₈H₈F₃N₃

SMILES

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

InChI

InChI=1S/C8H8F3N3/c9-8(10,11)5-1-3-6(4-2-5)14-7(12)13/h1-4H,(H4,12,13,14)

InChIKey

IUNFWMWQNWQIFS-UHFFFAOYSA-N

Compound name

2-[4-(trifluoromethyl)phenyl]guanidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 45
Patents: 203.06703 Da
Monoisotopic Mass: 1.3
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]+	204.07431	138.5
[M+Na]+	226.05625	145.9
[M-H]-	202.05975	138.9
[M+NH4]+	221.10085	156.8
[M+K]+	242.03019	143.3
[M+H-H2O]+	186.06429	129.6
[M+HCOO]-	248.06523	161.1
[M+CH3COO]-	262.08088	192.7
[M+Na-2H]-	224.04170	143.3
[M]+	203.06648	130.4
[M]-	203.06758	130.4

Literature stripe

literature stripe

Patent stripe

patents stripe