CID 122163577

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

Structural Information

Molecular Formula
C9H5ClN2O5S
SMILES
C1=CC(=CC=C1C2=NOC(=C2)S(=O)(=O)Cl)[N+](=O)[O-]
InChI
InChI=1S/C9H5ClN2O5S/c10-18(15,16)9-5-8(11-17-9)6-1-3-7(4-2-6)12(13)14/h1-5H
InChIKey
BTNNGVAJVKAKAP-UHFFFAOYSA-N
Compound name
3-(4-nitrophenyl)-1,2-oxazole-5-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

287.9608 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.96808 157.6
[M+Na]+ 310.95002 167.1
[M-H]- 286.95352 165.0
[M+NH4]+ 305.99462 172.6
[M+K]+ 326.92396 160.3
[M+H-H2O]+ 270.95806 156.4
[M+HCOO]- 332.95900 172.9
[M+CH3COO]- 346.97465 185.6
[M+Na-2H]- 308.93547 164.7
[M]+ 287.96025 161.9
[M]- 287.96135 161.9
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.