CID 132327869

2126179-08-4

Structural Information

Molecular Formula
C4H2ClF3N2O3S
SMILES
C(C1=NOC(=N1)C(F)(F)F)S(=O)(=O)Cl
InChI
InChI=1S/C4H2ClF3N2O3S/c5-14(11,12)1-2-9-3(13-10-2)4(6,7)8/h1H2
InChIKey
YWUDVSYEQHSQOH-UHFFFAOYSA-N
Compound name
[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]methanesulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

249.94267 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.94995 139.8
[M+Na]+ 272.93189 152.1
[M-H]- 248.93539 138.9
[M+NH4]+ 267.97649 156.4
[M+K]+ 288.90583 149.7
[M+H-H2O]+ 232.93993 132.5
[M+HCOO]- 294.94087 148.3
[M+CH3COO]- 308.95652 183.3
[M+Na-2H]- 270.91734 144.4
[M]+ 249.94212 142.5
[M]- 249.94322 142.5
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.