CID 116684870

2-methoxy-5-methylpyridine-3-sulfonyl chloride

Structural Information

Molecular Formula
C7H8ClNO3S
SMILES
CC1=CC(=C(N=C1)OC)S(=O)(=O)Cl
InChI
InChI=1S/C7H8ClNO3S/c1-5-3-6(13(8,10)11)7(12-2)9-4-5/h3-4H,1-2H3
InChIKey
MOEVKJDZRZEFCC-UHFFFAOYSA-N
Compound name
2-methoxy-5-methylpyridine-3-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

220.99135 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.99863 139.6
[M+Na]+ 243.98057 151.0
[M-H]- 219.98407 143.2
[M+NH4]+ 239.02517 158.6
[M+K]+ 259.95451 147.5
[M+H-H2O]+ 203.98861 134.8
[M+HCOO]- 265.98955 153.1
[M+CH3COO]- 280.00520 182.7
[M+Na-2H]- 241.96602 144.5
[M]+ 220.99080 146.3
[M]- 220.99190 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