CID 121599733

(5-methyl-1,2,4-oxadiazol-3-yl)methanesulfonyl chloride

Structural Information

Molecular Formula
C4H5ClN2O3S
SMILES
CC1=NC(=NO1)CS(=O)(=O)Cl
InChI
InChI=1S/C4H5ClN2O3S/c1-3-6-4(7-10-3)2-11(5,8)9/h2H2,1H3
InChIKey
BQWYGAJINNRPPQ-UHFFFAOYSA-N
Compound name
(5-methyl-1,2,4-oxadiazol-3-yl)methanesulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

195.97095 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.97823 134.2
[M+Na]+ 218.96017 146.3
[M-H]- 194.96367 137.2
[M+NH4]+ 214.00477 153.2
[M+K]+ 234.93411 144.7
[M+H-H2O]+ 178.96821 129.4
[M+HCOO]- 240.96915 147.3
[M+CH3COO]- 254.98480 175.3
[M+Na-2H]- 216.94562 139.2
[M]+ 195.97040 141.0
[M]- 195.97150 141.0
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.