CID 43427590

N-methyl-4-trifluoromethanesulfonylaniline

Structural Information

Molecular Formula

C₈H₈F₃NO₂S

SMILES

CNC1=CC=C(C=C1)S(=O)(=O)C(F)(F)F

InChI

InChI=1S/C8H8F3NO2S/c1-12-6-2-4-7(5-3-6)15(13,14)8(9,10)11/h2-5,12H,1H3

InChIKey

RCFMOAMDBYTOJW-UHFFFAOYSA-N

Compound name

N-methyl-4-(trifluoromethylsulfonyl)aniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
Patents: 239.02278 Da
Monoisotopic Mass: 2.7
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]+	240.030056	143.5
[M+Na]+	262.011998	152.7
[M-H]-	238.015504	143.7
[M+NH4]+	257.056603	161.4
[M+K]+	277.985938	149.1
[M+H-H2O]+	222.020040	135.4
[M+HCOO]-	284.020981	158.5
[M+CH3COO]-	298.036631	188.8
[M+Na-2H]-	259.997446	148.4
[M]+	239.02223142	141.5
[M]-	239.02332858	141.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe