CID 47003044

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

Structural Information

Molecular Formula
C7H5ClN2O3S
SMILES
CC1=NOC2=C1C=C(C=N2)S(=O)(=O)Cl
InChI
InChI=1S/C7H5ClN2O3S/c1-4-6-2-5(14(8,11)12)3-9-7(6)13-10-4/h2-3H,1H3
InChIKey
JGKTYJARBKWGGM-UHFFFAOYSA-N
Compound name
3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

231.97095 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.97823 142.6
[M+Na]+ 254.96017 157.0
[M-H]- 230.96367 147.1
[M+NH4]+ 250.00477 161.6
[M+K]+ 270.93411 154.0
[M+H-H2O]+ 214.96821 137.9
[M+HCOO]- 276.96915 156.2
[M+CH3COO]- 290.98480 182.7
[M+Na-2H]- 252.94562 149.6
[M]+ 231.97040 151.6
[M]- 231.97150 151.6
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