CID 119028171

4-chloro-3-phenyl-1,2-oxazole-5-sulfonyl chloride

Structural Information

Molecular Formula
C9H5Cl2NO3S
SMILES
C1=CC=C(C=C1)C2=NOC(=C2Cl)S(=O)(=O)Cl
InChI
InChI=1S/C9H5Cl2NO3S/c10-7-8(6-4-2-1-3-5-6)12-15-9(7)16(11,13)14/h1-5H
InChIKey
RGTYWFCIDADHDK-UHFFFAOYSA-N
Compound name
4-chloro-3-phenyl-1,2-oxazole-5-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

276.9367 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.94398 153.9
[M+Na]+ 299.92592 166.4
[M-H]- 275.92942 161.1
[M+NH4]+ 294.97052 171.4
[M+K]+ 315.89986 162.2
[M+H-H2O]+ 259.93396 149.3
[M+HCOO]- 321.93490 163.2
[M+CH3COO]- 335.95055 189.0
[M+Na-2H]- 297.91137 157.6
[M]+ 276.93615 161.2
[M]- 276.93725 161.2
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

No patent data available for this compound.