CID 2779696

388088-81-1

Structural Information

Molecular Formula
C9H7ClN2O3S
SMILES
CC1=NN=C(O1)C2=CC(=CC=C2)S(=O)(=O)Cl
InChI
InChI=1S/C9H7ClN2O3S/c1-6-11-12-9(15-6)7-3-2-4-8(5-7)16(10,13)14/h2-5H,1H3
InChIKey
IZKQGEKIDKCBSX-UHFFFAOYSA-N
Compound name
3-(5-methyl-1,3,4-oxadiazol-2-yl)benzenesulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

76
Patents

257.9866 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.99388 151.3
[M+Na]+ 280.97582 163.8
[M-H]- 256.97932 157.7
[M+NH4]+ 276.02042 167.8
[M+K]+ 296.94976 160.5
[M+H-H2O]+ 240.98386 145.3
[M+HCOO]- 302.98480 164.5
[M+CH3COO]- 317.00045 187.1
[M+Na-2H]- 278.96127 155.6
[M]+ 257.98605 158.1
[M]- 257.98715 158.1
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