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]+ 277.943976 153.9
[M+Na]+ 299.925918 166.4
[M-H]- 275.929424 161.1
[M+NH4]+ 294.970523 171.4
[M+K]+ 315.899858 162.2
[M+H-H2O]+ 259.933960 149.3
[M+HCOO]- 321.934901 163.2
[M+CH3COO]- 335.950551 189.0
[M+Na-2H]- 297.911366 157.6
[M]+ 276.93615142 161.2
[M]- 276.93724858 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.