CID 14547281

111770-91-3

Structural Information

Molecular Formula

C₇H₆F₃NO₃S

SMILES

CC1=NC=C(C=C1)OS(=O)(=O)C(F)(F)F

InChI

InChI=1S/C7H6F3NO3S/c1-5-2-3-6(4-11-5)14-15(12,13)7(8,9)10/h2-4H,1H3

InChIKey

NSSSVJYQTZRVMH-UHFFFAOYSA-N

Compound name

(6-methylpyridin-3-yl) trifluoromethanesulfonate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 199
Patents: 241.00204 Da
Monoisotopic Mass: 2.0
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]+	242.00932	152.5
[M+Na]+	263.99126	160.6
[M+NH4]+	259.03586	156.7
[M+K]+	279.96520	155.5
[M-H]-	239.99476	147.4
[M+Na-2H]-	261.97671	155.3
[M]+	241.00149	152.3
[M]-	241.00259	152.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe