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-methylpyridin-3-yl) trifluoromethanesulfonate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

209
Patents

241.00204 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[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
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