CID 122446354

1982344-70-6

Structural Information

Molecular Formula

C₈H₈F₅N₃

SMILES

CNC1=CN=C(C=C1N)C(C(F)(F)F)(F)F

InChI

InChI=1S/C8H8F5N3/c1-15-5-3-16-6(2-4(5)14)7(9,10)8(11,12)13/h2-3,15H,1H3,(H2,14,16)

InChIKey

VZEIXFISQZLAIV-UHFFFAOYSA-N

Compound name

3-N-methyl-6-(1,1,2,2,2-pentafluoroethyl)pyridine-3,4-diamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 20
Patents: 241.06384 Da
Monoisotopic Mass: 1.7
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]+	242.071116	146.1
[M+Na]+	264.053058	155.3
[M-H]-	240.056564	142.2
[M+NH4]+	259.097663	161.8
[M+K]+	280.026998	151.6
[M+H-H2O]+	224.061100	135.7
[M+HCOO]-	286.062041	162.5
[M+CH3COO]-	300.077691	196.6
[M+Na-2H]-	262.038506	151.4
[M]+	241.06329142	137.1
[M]-	241.06438858	137.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe