CID 2735930

172648-55-4

Structural Information

Molecular Formula

C₇H₈F₃N₃

SMILES

CNC1=C(C=C(C=N1)C(F)(F)F)N

InChI

InChI=1S/C7H8F3N3/c1-12-6-5(11)2-4(3-13-6)7(8,9)10/h2-3H,11H2,1H3,(H,12,13)

InChIKey

RLRUNZFXEAZVIT-UHFFFAOYSA-N

Compound name

2-N-methyl-5-(trifluoromethyl)pyridine-2,3-diamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 507
Patents: 191.06703 Da
Monoisotopic Mass: 1.4
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]+	192.07431	137.7
[M+Na]+	214.05625	145.8
[M+NH4]+	209.10085	143.0
[M+K]+	230.03019	141.7
[M-H]-	190.05975	135.2
[M+Na-2H]-	212.04170	142.2
[M]+	191.06648	137.7
[M]-	191.06758	137.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe