CID 121599952

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

Structural Information

Molecular Formula
C3H3ClN2O3S
SMILES
C1=NC(=NO1)CS(=O)(=O)Cl
InChI
InChI=1S/C3H3ClN2O3S/c4-10(7,8)1-3-5-2-9-6-3/h2H,1H2
InChIKey
UQMWJCLGJLJSGG-UHFFFAOYSA-N
Compound name
1,2,4-oxadiazol-3-ylmethanesulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

181.95529 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 182.96257 129.9
[M+Na]+ 204.94451 141.6
[M-H]- 180.94801 132.7
[M+NH4]+ 199.98911 149.2
[M+K]+ 220.91845 140.3
[M+H-H2O]+ 164.95255 124.9
[M+HCOO]- 226.95349 143.4
[M+CH3COO]- 240.96914 171.2
[M+Na-2H]- 202.92996 136.1
[M]+ 181.95474 135.9
[M]- 181.95584 135.9
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.