CID 154878841

2490406-16-9

Structural Information

Molecular Formula

C₇H₇F₃N₂O₂S

SMILES

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

InChI

InChI=1S/C7H7F3N2O2S/c1-15(13,14)5-2-4(7(8,9)10)3-12-6(5)11/h2-3H,1H3,(H2,11,12)

InChIKey

QDBWZDLSFODOIJ-UHFFFAOYSA-N

Compound name

3-methylsulfonyl-5-(trifluoromethyl)pyridin-2-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 240.01804 Da
Monoisotopic Mass: 1.2
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]+	241.025316	143.9
[M+Na]+	263.007258	154.3
[M-H]-	239.010764	142.7
[M+NH4]+	258.051863	160.4
[M+K]+	278.981198	150.5
[M+H-H2O]+	223.015300	135.5
[M+HCOO]-	285.016241	157.3
[M+CH3COO]-	299.031891	189.0
[M+Na-2H]-	260.992706	147.6
[M]+	240.01749142	141.4
[M]-	240.01858858	141.4

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.