CID 52997037

1279219-52-1

Structural Information

Molecular Formula
C9H8ClNO3S2
SMILES
CC1=C(ON=C1C)C2=CC=C(S2)S(=O)(=O)Cl
InChI
InChI=1S/C9H8ClNO3S2/c1-5-6(2)11-14-9(5)7-3-4-8(15-7)16(10,12)13/h3-4H,1-2H3
InChIKey
ZKYVRFMQSGQKMT-UHFFFAOYSA-N
Compound name
5-(3,4-dimethyl-1,2-oxazol-5-yl)thiophene-2-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

276.9634 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.97068 158.3
[M+Na]+ 299.95262 172.8
[M-H]- 275.95612 167.1
[M+NH4]+ 294.99722 178.1
[M+K]+ 315.92656 168.9
[M+H-H2O]+ 259.96066 154.9
[M+HCOO]- 321.96160 169.8
[M+CH3COO]- 335.97725 190.3
[M+Na-2H]- 297.93807 158.3
[M]+ 276.96285 168.1
[M]- 276.96395 168.1
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