CID 139300692

2-(difluoromethoxy)pyridine-3-sulfonyl chloride

Structural Information

Molecular Formula
C6H4ClF2NO3S
SMILES
C1=CC(=C(N=C1)OC(F)F)S(=O)(=O)Cl
InChI
InChI=1S/C6H4ClF2NO3S/c7-14(11,12)4-2-1-3-10-5(4)13-6(8)9/h1-3,6H
InChIKey
SWDUDWDFEAITLE-UHFFFAOYSA-N
Compound name
2-(difluoromethoxy)pyridine-3-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

242.95685 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.964126 138.3
[M+Na]+ 265.946068 149.0
[M-H]- 241.949574 138.9
[M+NH4]+ 260.990673 155.8
[M+K]+ 281.920008 145.3
[M+H-H2O]+ 225.954110 131.6
[M+HCOO]- 287.955051 149.2
[M+CH3COO]- 301.970701 184.7
[M+Na-2H]- 263.931516 142.4
[M]+ 242.95630142 141.6
[M]- 242.95739858 141.6
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