CID 14547281

2-methyl-5-pyridinetrifluoromethanesulfonate

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-methyl-3-pyridinyl) trifluoromethanesulfonate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

238
Patents

241.00204 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.009316 143.0
[M+Na]+ 263.991258 153.4
[M-H]- 239.994764 142.2
[M+NH4]+ 259.035863 159.8
[M+K]+ 279.965198 150.7
[M+H-H2O]+ 223.999300 134.6
[M+HCOO]- 286.000241 156.4
[M+CH3COO]- 300.015891 185.7
[M+Na-2H]- 261.976706 148.1
[M]+ 241.00149142 143.4
[M]- 241.00258858 143.4
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