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

36
Patents

232.95496 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.962236 143.7
[M+Na]+ 255.944178 157.1
[M-H]- 231.947684 152.7
[M+NH4]+ 250.988783 162.9
[M+K]+ 271.918118 156.2
[M+H-H2O]+ 215.952220 139.9
[M+HCOO]- 277.953161 160.4
[M+CH3COO]- 291.968811 179.7
[M+Na-2H]- 253.929626 149.0
[M]+ 232.95441142 153.2
[M]- 232.95550858 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