CID 137935413

2248405-17-4

Structural Information

Molecular Formula
C7H6F3NO3S
SMILES
COC1=C(C=C(C=N1)C(F)(F)F)S(=O)O
InChI
InChI=1S/C7H6F3NO3S/c1-14-6-5(15(12)13)2-4(3-11-6)7(8,9)10/h2-3H,1H3,(H,12,13)
InChIKey
OHSVDNRXYKRDFE-UHFFFAOYSA-N
Compound name
2-methoxy-5-(trifluoromethyl)pyridine-3-sulfinic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

241.00204 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.00932 150.8
[M+Na]+ 263.99126 158.7
[M+NH4]+ 259.03586 155.1
[M+K]+ 279.96520 153.9
[M-H]- 239.99476 145.9
[M+Na-2H]- 261.97671 152.8
[M]+ 241.00149 150.5
[M]- 241.00259 150.5
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

No patent data available for this compound.