CID 165966570

2,4-dimethoxypyridine-3-sulfonyl fluoride

Structural Information

Molecular Formula
C7H8FNO4S
SMILES
COC1=C(C(=NC=C1)OC)S(=O)(=O)F
InChI
InChI=1S/C7H8FNO4S/c1-12-5-3-4-9-7(13-2)6(5)14(8,10)11/h3-4H,1-2H3
InChIKey
MBISLUMPVHWGJB-UHFFFAOYSA-N
Compound name
2,4-dimethoxypyridine-3-sulfonyl fluoride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

221.01581 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.02309 140.0
[M+Na]+ 244.00503 150.7
[M-H]- 220.00853 142.0
[M+NH4]+ 239.04963 157.9
[M+K]+ 259.97897 148.8
[M+H-H2O]+ 204.01307 133.1
[M+HCOO]- 266.01401 157.3
[M+CH3COO]- 280.02966 183.6
[M+Na-2H]- 241.99048 144.8
[M]+ 221.01526 145.2
[M]- 221.01636 145.2
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.