CID 2782732

2-(methylsulfonyl)-5-(trifluoromethyl)aniline

Structural Information

Molecular Formula
C8H8F3NO2S
SMILES
CS(=O)(=O)C1=C(C=C(C=C1)C(F)(F)F)N
InChI
InChI=1S/C8H8F3NO2S/c1-15(13,14)7-3-2-5(4-6(7)12)8(9,10)11/h2-4H,12H2,1H3
InChIKey
LNEFTABJIPDJBV-UHFFFAOYSA-N
Compound name
2-methylsulfonyl-5-(trifluoromethyl)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

239.02278 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.03006 152.6
[M+Na]+ 262.01200 160.1
[M+NH4]+ 257.05660 157.3
[M+K]+ 277.98594 154.8
[M-H]- 238.01550 148.7
[M+Na-2H]- 259.99745 155.2
[M]+ 239.02223 152.6
[M]- 239.02333 152.6
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