CID 122163785

3-(3-chloro-4-methoxyphenyl)-1,2-oxazole-5-sulfonyl chloride

Structural Information

Molecular Formula
C10H7Cl2NO4S
SMILES
COC1=C(C=C(C=C1)C2=NOC(=C2)S(=O)(=O)Cl)Cl
InChI
InChI=1S/C10H7Cl2NO4S/c1-16-9-3-2-6(4-7(9)11)8-5-10(17-13-8)18(12,14)15/h2-5H,1H3
InChIKey
BGXIDNJGEHBIKW-UHFFFAOYSA-N
Compound name
3-(3-chloro-4-methoxyphenyl)-1,2-oxazole-5-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

306.9473 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.95458 163.9
[M+Na]+ 329.93652 178.2
[M+NH4]+ 324.98112 171.3
[M+K]+ 345.91046 172.1
[M-H]- 305.94002 166.6
[M+Na-2H]- 327.92197 169.7
[M]+ 306.94675 167.8
[M]- 306.94785 167.8
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.