CID 10857619

179260-78-7

Structural Information

Molecular Formula

C₇H₆F₃NO₃S

SMILES

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

InChI

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

InChIKey

AZUJRVRRUXHHDV-UHFFFAOYSA-N

Compound name

(4-methylpyridin-2-yl) trifluoromethanesulfonate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 241.00204 Da
Monoisotopic Mass: 2.3
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	143.0
[M+Na]+	263.99126	153.4
[M-H]-	239.99476	142.2
[M+NH4]+	259.03586	159.8
[M+K]+	279.96520	150.7
[M+H-H2O]+	223.99930	134.6
[M+HCOO]-	286.00024	156.4
[M+CH3COO]-	300.01589	185.7
[M+Na-2H]-	261.97671	148.1
[M]+	241.00149	143.4
[M]-	241.00259	143.4

Literature stripe

literature stripe

Patent stripe

patents stripe