CID 18539798

2-methoxy-4-(trifluoromethyl)pyridine-3-sulfonyl chloride

Structural Information

Molecular Formula
C7H5ClF3NO3S
SMILES
COC1=NC=CC(=C1S(=O)(=O)Cl)C(F)(F)F
InChI
InChI=1S/C7H5ClF3NO3S/c1-15-6-5(16(8,13)14)4(2-3-12-6)7(9,10)11/h2-3H,1H3
InChIKey
DMKFWTCEKLNOKK-UHFFFAOYSA-N
Compound name
2-methoxy-4-(trifluoromethyl)pyridine-3-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

65
Patents

274.96307 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.97035 146.2
[M+Na]+ 297.95229 158.0
[M-H]- 273.95579 145.9
[M+NH4]+ 292.99689 162.8
[M+K]+ 313.92623 153.7
[M+H-H2O]+ 257.96033 138.9
[M+HCOO]- 319.96127 155.1
[M+CH3COO]- 333.97692 190.6
[M+Na-2H]- 295.93774 150.6
[M]+ 274.96252 148.9
[M]- 274.96362 148.9
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