CID 116684756

6-methoxy-2-methylpyridine-3-sulfonyl chloride

Structural Information

Molecular Formula
C7H8ClNO3S
SMILES
CC1=C(C=CC(=N1)OC)S(=O)(=O)Cl
InChI
InChI=1S/C7H8ClNO3S/c1-5-6(13(8,10)11)3-4-7(9-5)12-2/h3-4H,1-2H3
InChIKey
DZAWUSFQTZPRAD-UHFFFAOYSA-N
Compound name
6-methoxy-2-methylpyridine-3-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

220.99135 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.998626 139.6
[M+Na]+ 243.980568 151.0
[M-H]- 219.984074 143.2
[M+NH4]+ 239.025173 158.6
[M+K]+ 259.954508 147.5
[M+H-H2O]+ 203.988610 134.8
[M+HCOO]- 265.989551 153.1
[M+CH3COO]- 280.005201 182.7
[M+Na-2H]- 241.966016 144.5
[M]+ 220.99080142 146.3
[M]- 220.99189858 146.3
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