CID 2765644

551930-54-2

Structural Information

Molecular Formula
C7H4ClNO4S
SMILES
C1=C(OC(=C1)S(=O)(=O)Cl)C2=CC=NO2
InChI
InChI=1S/C7H4ClNO4S/c8-14(10,11)7-2-1-5(12-7)6-3-4-9-13-6/h1-4H
InChIKey
AWYRXMXRSGZTEN-UHFFFAOYSA-N
Compound name
5-(1,2-oxazol-5-yl)furan-2-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

31
Patents

232.95496 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.96224 143.7
[M+Na]+ 255.94418 157.1
[M-H]- 231.94768 152.7
[M+NH4]+ 250.98878 162.9
[M+K]+ 271.91812 156.2
[M+H-H2O]+ 215.95222 139.9
[M+HCOO]- 277.95316 160.4
[M+CH3COO]- 291.96881 179.7
[M+Na-2H]- 253.92963 149.0
[M]+ 232.95441 153.2
[M]- 232.95551 153.2
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