CID 590743

72846-43-6

Structural Information

Molecular Formula
C11H14F3NO2S
SMILES
CCC1=C(C(=CC=C1)CC)NS(=O)(=O)C(F)(F)F
InChI
InChI=1S/C11H14F3NO2S/c1-3-8-6-5-7-9(4-2)10(8)15-18(16,17)11(12,13)14/h5-7,15H,3-4H2,1-2H3
InChIKey
MOESXZSJSUXPHI-UHFFFAOYSA-N
Compound name
N-(2,6-diethylphenyl)-1,1,1-trifluoromethanesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

281.06973 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.07701 156.6
[M+Na]+ 304.05895 165.3
[M-H]- 280.06245 156.6
[M+NH4]+ 299.10355 173.1
[M+K]+ 320.03289 161.1
[M+H-H2O]+ 264.06699 148.1
[M+HCOO]- 326.06793 170.6
[M+CH3COO]- 340.08358 199.0
[M+Na-2H]- 302.04440 159.5
[M]+ 281.06918 156.1
[M]- 281.07028 156.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe