CID 55280872

4-(1,2-oxazol-5-yl)benzene-1-sulfonyl chloride

Structural Information

Molecular Formula
C9H6ClNO3S
SMILES
C1=CC(=CC=C1C2=CC=NO2)S(=O)(=O)Cl
InChI
InChI=1S/C9H6ClNO3S/c10-15(12,13)8-3-1-7(2-4-8)9-5-6-11-14-9/h1-6H
InChIKey
YLMBEKRVKFZJCC-UHFFFAOYSA-N
Compound name
4-(1,2-oxazol-5-yl)benzenesulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

242.9757 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.98298 147.4
[M+Na]+ 265.96492 159.1
[M-H]- 241.96842 154.9
[M+NH4]+ 261.00952 165.6
[M+K]+ 281.93886 155.9
[M+H-H2O]+ 225.97296 142.1
[M+HCOO]- 287.97390 162.0
[M+CH3COO]- 301.98955 183.2
[M+Na-2H]- 263.95037 152.6
[M]+ 242.97515 153.5
[M]- 242.97625 153.5
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