CID 63585922

6-methoxypyridine-2-sulfonyl chloride

Structural Information

Molecular Formula
C6H6ClNO3S
SMILES
COC1=NC(=CC=C1)S(=O)(=O)Cl
InChI
InChI=1S/C6H6ClNO3S/c1-11-5-3-2-4-6(8-5)12(7,9)10/h2-4H,1H3
InChIKey
BKOAQFXWRFFJQZ-UHFFFAOYSA-N
Compound name
6-methoxypyridine-2-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

24
Patents

206.9757 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.98298 135.7
[M+Na]+ 229.96492 146.8
[M-H]- 205.96842 139.1
[M+NH4]+ 225.00952 154.9
[M+K]+ 245.93886 143.4
[M+H-H2O]+ 189.97296 130.9
[M+HCOO]- 251.97390 149.6
[M+CH3COO]- 265.98955 178.5
[M+Na-2H]- 227.95037 141.7
[M]+ 206.97515 141.7
[M]- 206.97625 141.7
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