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]+ 243.96413 138.3
[M+Na]+ 265.94607 149.0
[M-H]- 241.94957 138.9
[M+NH4]+ 260.99067 155.8
[M+K]+ 281.92001 145.3
[M+H-H2O]+ 225.95411 131.6
[M+HCOO]- 287.95505 149.2
[M+CH3COO]- 301.97070 184.7
[M+Na-2H]- 263.93152 142.4
[M]+ 242.95630 141.6
[M]- 242.95740 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