CID 119030848

5-cyano-6-methylpyridine-3-sulfonyl chloride

Structural Information

Molecular Formula
C7H5ClN2O2S
SMILES
CC1=C(C=C(C=N1)S(=O)(=O)Cl)C#N
InChI
InChI=1S/C7H5ClN2O2S/c1-5-6(3-9)2-7(4-10-5)13(8,11)12/h2,4H,1H3
InChIKey
GOTJWEAPYXTIRB-UHFFFAOYSA-N
Compound name
5-cyano-6-methylpyridine-3-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

215.97603 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.983306 146.6
[M+Na]+ 238.965248 159.7
[M-H]- 214.968754 150.2
[M+NH4]+ 234.009853 163.9
[M+K]+ 254.939188 155.8
[M+H-H2O]+ 198.973290 135.3
[M+HCOO]- 260.974231 157.0
[M+CH3COO]- 274.989881 193.9
[M+Na-2H]- 236.950696 150.6
[M]+ 215.97548142 146.2
[M]- 215.97657858 146.2
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

patents stripe