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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.03006 143.5
[M+Na]+ 262.01200 152.7
[M-H]- 238.01550 143.7
[M+NH4]+ 257.05660 161.4
[M+K]+ 277.98594 149.1
[M+H-H2O]+ 222.02004 135.4
[M+HCOO]- 284.02098 158.5
[M+CH3COO]- 298.03663 188.8
[M+Na-2H]- 259.99745 148.4
[M]+ 239.02223 141.5
[M]- 239.02333 141.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe