CID 71757017

3-phenyl-[1,2]oxazolo[5,4-b]pyridine-5-sulfonyl chloride

Structural Information

Molecular Formula
C12H7ClN2O3S
SMILES
C1=CC=C(C=C1)C2=NOC3=C2C=C(C=N3)S(=O)(=O)Cl
InChI
InChI=1S/C12H7ClN2O3S/c13-19(16,17)9-6-10-11(8-4-2-1-3-5-8)15-18-12(10)14-7-9/h1-7H
InChIKey
RMENGPPTHWFIPN-UHFFFAOYSA-N
Compound name
3-phenyl-[1,2]oxazolo[5,4-b]pyridine-5-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

293.9866 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.99388 160.6
[M+Na]+ 316.97582 174.4
[M-H]- 292.97932 168.1
[M+NH4]+ 312.02042 176.7
[M+K]+ 332.94976 169.9
[M+H-H2O]+ 276.98386 154.3
[M+HCOO]- 338.98480 174.2
[M+CH3COO]- 353.00045 174.3
[M+Na-2H]- 314.96127 167.4
[M]+ 293.98605 169.0
[M]- 293.98715 169.0
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.